diff --git a/cmake/CMakeLists.txt b/cmake/CMakeLists.txt
index 0223750ace..43a8ffe72f 100644
--- a/cmake/CMakeLists.txt
+++ b/cmake/CMakeLists.txt
@@ -265,6 +265,7 @@ set(STANDARD_PACKAGES
   MC
   MDI
   MEAM
+  MESONT
   MGPT
   MISC
   ML-HDNNP
@@ -308,9 +309,8 @@ set(STANDARD_PACKAGES
   YAFF)
 
 set(SUFFIX_PACKAGES CORESHELL GPU KOKKOS OPT INTEL OPENMP)
-set(EXTRA_PACKAGES MESONT)
 
-foreach(PKG ${STANDARD_PACKAGES} ${EXTRA_PACKAGES} ${SUFFIX_PACKAGES})
+foreach(PKG ${STANDARD_PACKAGES} ${SUFFIX_PACKAGES})
   option(PKG_${PKG} "Build ${PKG} Package" OFF)
 endforeach()
 
@@ -520,7 +520,7 @@ else()
   set(CUDA_REQUEST_PIC)
 endif()
 
-foreach(PKG_WITH_INCL KSPACE PYTHON ML-IAP VORONOI COLVARS ML-HDNNP MDI MOLFILE MESONT NETCDF
+foreach(PKG_WITH_INCL KSPACE PYTHON ML-IAP VORONOI COLVARS ML-HDNNP MDI MOLFILE NETCDF
         PLUMED QMMM ML-QUIP SCAFACOS MACHDYN VTK KIM LATTE MSCG COMPRESS ML-PACE LEPTON)
   if(PKG_${PKG_WITH_INCL})
     include(Packages/${PKG_WITH_INCL})
@@ -566,7 +566,7 @@ RegisterStyles(${LAMMPS_SOURCE_DIR})
 ########################################################
 # Fetch missing external files and archives for packages
 ########################################################
-foreach(PKG ${STANDARD_PACKAGES} ${EXTRA_PACKAGES} ${SUFFIX_PACKAGES})
+foreach(PKG ${STANDARD_PACKAGES} ${SUFFIX_PACKAGES})
   if(PKG_${PKG})
     FetchPotentials(${LAMMPS_SOURCE_DIR}/${PKG} ${LAMMPS_POTENTIALS_DIR})
   endif()
@@ -706,7 +706,7 @@ target_include_directories(lammps PRIVATE ${LAMMPS_STYLE_HEADERS_DIR})
 ######################################
 set(temp "#ifndef LMP_INSTALLED_PKGS_H\n#define LMP_INSTALLED_PKGS_H\n")
 set(temp "${temp}const char * LAMMPS_NS::LAMMPS::installed_packages[] =  {\n")
-set(temp_PKG_LIST ${STANDARD_PACKAGES} ${EXTRA_PACKAGES} ${SUFFIX_PACKAGES})
+set(temp_PKG_LIST ${STANDARD_PACKAGES} ${SUFFIX_PACKAGES})
 list(SORT temp_PKG_LIST)
 foreach(PKG ${temp_PKG_LIST})
     if(PKG_${PKG})
@@ -927,7 +927,7 @@ message(STATUS "<<< Build configuration >>>
 # Print package summary
 ###############################################################################
 set(ENABLED_PACKAGES)
-foreach(PKG ${STANDARD_PACKAGES} ${EXTRA_PACKAGES} ${SUFFIX_PACKAGES})
+foreach(PKG ${STANDARD_PACKAGES} ${SUFFIX_PACKAGES})
   if(PKG_${PKG})
     list(APPEND ENABLED_PACKAGES ${PKG})
   endif()
diff --git a/cmake/Modules/Packages/MESONT.cmake b/cmake/Modules/Packages/MESONT.cmake
deleted file mode 100644
index ea867234a0..0000000000
--- a/cmake/Modules/Packages/MESONT.cmake
+++ /dev/null
@@ -1,73 +0,0 @@
-
-
-set(MESONT_SOURCES_DIR ${LAMMPS_SOURCE_DIR}/MESONT)
-include(StyleHeaderUtils)
-include(CheckLanguage)
-
-# always include C++-only sources
-file(GLOB MESONT_SOURCES ${CONFIGURE_DEPENDS} ${MESONT_SOURCES_DIR}/[^.]*mesocnt*.cpp)
-file(GLOB MESONT_HEADERS ${CONFIGURE_DEPENDS} ${MESONT_SOURCES_DIR}/[^.]*mesocnt*.h)
-# remove derived class when base class is not available
-if(NOT PKG_MOLECULE)
-  list(REMOVE_ITEM MESONT_SOURCES ${MESONT_SOURCES_DIR}/bond_mesocnt.cpp)
-  list(REMOVE_ITEM MESONT_HEADERS ${MESONT_SOURCES_DIR}/bond_mesocnt.h)
-endif()
-
-# include styles dependent on Fortran library only when Fortran is available.
-check_language(Fortran)
-if(CMAKE_Fortran_COMPILER)
-  enable_language(Fortran)
-  file(GLOB MESONT_LIB_SOURCES ${CONFIGURE_DEPENDS} ${LAMMPS_LIB_SOURCE_DIR}/mesont/[^.]*.f90)
-  add_library(mesont STATIC ${MESONT_LIB_SOURCES})
-  set_target_properties(mesont PROPERTIES OUTPUT_NAME lammps_mesont${LAMMPS_MACHINE})
-  target_link_libraries(lammps PRIVATE mesont)
-
-  list(APPEND MESONT_SOURCES ${MESONT_SOURCES_DIR}/pair_mesont_tpm.cpp)
-  list(APPEND MESONT_SOURCES ${MESONT_SOURCES_DIR}/atom_vec_mesont.cpp)
-  list(APPEND MESONT_SOURCES ${MESONT_SOURCES_DIR}/compute_mesont.cpp)
-  list(APPEND MESONT_HEADERS ${MESONT_SOURCES_DIR}/pair_mesont_tpm.h)
-  list(APPEND MESONT_HEADERS ${MESONT_SOURCES_DIR}/atom_vec_mesont.h)
-  list(APPEND MESONT_HEADERS ${MESONT_SOURCES_DIR}/compute_mesont.h)
-endif()
-
-# check for package files in src directory due to old make system
-DetectBuildSystemConflict(${LAMMPS_SOURCE_DIR} ${MESONT_SOURCES} ${MESONT_HEADERS})
-
-# manually register style headers
-get_property(alist GLOBAL PROPERTY ANGLE)
-get_property(blist GLOBAL PROPERTY BOND)
-get_property(clist GLOBAL PROPERTY COMPUTE)
-get_property(plist GLOBAL PROPERTY PAIR)
-get_property(vlist GLOBAL PROPERTY ATOM_VEC)
-foreach(fname ${MESONT_HEADERS})
-  file(STRINGS ${fname} is_style LIMIT_COUNT 1 REGEX ANGLE_CLASS)
-  if(is_style)
-    list(APPEND alist ${fname})
-  endif()
-  file(STRINGS ${fname} is_style LIMIT_COUNT 1 REGEX BOND_CLASS)
-  if(is_style)
-    list(APPEND blist ${fname})
-  endif()
-  file(STRINGS ${fname} is_style LIMIT_COUNT 1 REGEX COMPUTE_CLASS)
-  if(is_style)
-    list(APPEND clist ${fname})
-  endif()
-  file(STRINGS ${fname} is_style LIMIT_COUNT 1 REGEX PAIR_CLASS)
-  if(is_style)
-    list(APPEND plist ${fname})
-  endif()
-  file(STRINGS ${fname} is_style LIMIT_COUNT 1 REGEX ATOM_CLASS)
-  if(is_style)
-    list(APPEND vlist ${fname})
-  endif()
-endforeach()
-set_property(GLOBAL PROPERTY ANGLE "${alist}")
-set_property(GLOBAL PROPERTY BOND "${blist}")
-set_property(GLOBAL PROPERTY COMPUTE "${clist}")
-set_property(GLOBAL PROPERTY PAIR "${plist}")
-set_property(GLOBAL PROPERTY ATOM_VEC "${vlist}")
-
-target_sources(lammps PRIVATE ${MESONT_SOURCES})
-target_include_directories(lammps PRIVATE ${MESONT_SOURCES_DIR})
-
-RegisterPackages(${MESONT_SOURCES_DIR})
diff --git a/cmake/presets/most.cmake b/cmake/presets/most.cmake
index 0d63140506..00c74c81b8 100644
--- a/cmake/presets/most.cmake
+++ b/cmake/presets/most.cmake
@@ -40,6 +40,7 @@ set(ALL_PACKAGES
   MANYBODY
   MC
   MEAM
+  MESONT
   MISC
   ML-IAP
   ML-POD
diff --git a/cmake/presets/nolib.cmake b/cmake/presets/nolib.cmake
index b022d4bb55..00a69cd22d 100644
--- a/cmake/presets/nolib.cmake
+++ b/cmake/presets/nolib.cmake
@@ -16,7 +16,6 @@ set(PACKAGES_WITH_LIB
   LEPTON
   MACHDYN
   MDI
-  MESONT
   ML-HDNNP
   ML-PACE
   ML-QUIP
diff --git a/cmake/presets/windows.cmake b/cmake/presets/windows.cmake
index 7075659964..aa9a4656af 100644
--- a/cmake/presets/windows.cmake
+++ b/cmake/presets/windows.cmake
@@ -36,6 +36,7 @@ set(WIN_PACKAGES
   MANYBODY
   MC
   MEAM
+  MESONT
   MISC
   ML-IAP
   ML-POD
diff --git a/lib/mesont/.depend b/lib/mesont/.depend
deleted file mode 100644
index bd49eadde8..0000000000
--- a/lib/mesont/.depend
+++ /dev/null
@@ -1,13 +0,0 @@
-CNTPot.o: CNTPot.f90 TPMLib.o
-ExportCNT.o: ExportCNT.f90 CNTPot.o TPMLib.o TubePotMono.o TPMForceField.o
-LinFun2.o: LinFun2.f90
-Spline1.o: Spline1.f90
-Spline2.o: Spline2.f90 Spline1.o
-TPMForceField.o: TPMForceField.f90 CNTPot.o TPMM0.o TPMM1.o
-TPMGeom.o: TPMGeom.f90 TPMLib.o
-TPMLib.o: TPMLib.f90
-TPMM0.o: TPMM0.f90 TubePotMono.o
-TPMM1.o: TPMM1.f90 TubePotMono.o
-TubePotBase.o: TubePotBase.f90 TPMLib.o
-TubePotMono.o: TubePotMono.f90 TPMLib.o TPMGeom.o TubePotBase.o TubePotTrue.o LinFun2.o Spline2.o
-TubePotTrue.o: TubePotTrue.f90 TPMGeom.o TubePotBase.o
diff --git a/lib/mesont/.gitignore b/lib/mesont/.gitignore
deleted file mode 100644
index 63a7748cf4..0000000000
--- a/lib/mesont/.gitignore
+++ /dev/null
@@ -1 +0,0 @@
-*.mod
diff --git a/lib/mesont/CNTPot.f90 b/lib/mesont/CNTPot.f90
deleted file mode 100644
index 296c436049..0000000000
--- a/lib/mesont/CNTPot.f90
+++ /dev/null
@@ -1,714 +0,0 @@
-! ------------ ----------------------------------------------------------
-!   LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
-!   https://www.lammps.org/ Sandia National Laboratories
-!   LAMMPS development team: developers@lammps.org
-!
-!   Copyright (2003) Sandia Corporation.  Under the terms of Contract
-!   DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains
-!   certain rights in this software.  This software is distributed under
-!   the GNU General Public License.
-!
-!   See the README file in the top-level LAMMPS directory.
-!
-!   Contributing author: Alexey N. Volkov, UA, avolkov1@ua.edu
-!-------------------------------------------------------------------------
-
-module CNTPot !*************************************************************************************
-!
-! Mesoscopic potential for internal modes in CNTs.
-!
-!---------------------------------------------------------------------------------------------------
-!
-! Carbon nanotubes internal potentials:
-!       CNTSTRH0, harmonic stretching potential of type 0 with constant Young's modulus
-!       CNTSTRH1, harmonic stretching potential of type 1 with variable Young's modulus
-!       CNTSTRNH0, non-harmonic stretching with fracture potential of type 0
-!       CNTSTRNH1, non-harmonic stretching with fracture potential of type 1
-!       CNTBNDH, harmonic bending potential
-!       CNTBNDHB, harmonic bending-buckling potential
-!       CNTBNDHBF, harmonic bending-buckling potential with fracture
-!       CNTTRS, torsion potential
-!       CNTBRT, breathing potential
-!
-! The functional form and force constants of harmonic stretching, bending and
-! torsion potentials are taken from:
-! L.V. Zhigilei, Ch. Wei, D. Srivastava, Phys. Rev. B 71, 165417 (2005)
-!
-! The model of stress-strain curve for the non-harmonic potential with fracture
-! is developed and parameterized using the following constants
-! -- Young's modulus
-! -- maximum linear strain (only for the NH potential of type 1)
-! -- tensile strength (or fracture strain)
-! -- strain at failure (or fracture strain)
-! -- maximum strain.
-! All these parameters are assumed to be independent of CNT radius or chriality type.
-! In this model, the true strain at failure CNTSTREft and true tensile strength
-! CNTSTRSft are slightly different from the imposed values CNTSTREf and CNTSTRSf.
-!
-! The non-harmonic stretching potentials of types 0 and 1 are different from
-! each other by the functional form of the stress-strain curve
-!
-! Different parameterizations of CNTSTRH0, CNTSTRNH0 and CNTSTRNH1 potentials can be chosen,
-! see subroutine CNTSTRSetParameterization
-!
-!---------------------------------------------------------------------------------------------------
-!
-! Intel Fortran
-!
-! Alexey N. Volkov, University of Alabama, avolkov1@ua.edu, Version 13.00, 2020
-!
-!***************************************************************************************************
-
-use TPMLib
-use iso_c_binding, only : c_int, c_double, c_char
-implicit none
-
-!---------------------------------------------------------------------------------------------------
-! Constants
-!---------------------------------------------------------------------------------------------------
-        integer(c_int), parameter            :: CNTPOT_STRETCHING    = 0
-        integer(c_int), parameter            :: CNTPOT_SBUCKLING     = 1
-        integer(c_int), parameter            :: CNTPOT_SFRACTURE     = 2
-
-        integer(c_int), parameter            :: CNTPOT_BENDING       = 3
-        integer(c_int), parameter            :: CNTPOT_BBUCKLING     = 4
-        integer(c_int), parameter            :: CNTPOT_BFRACTURE     = 5
-
-        ! Harmonic stretching model (constant Young's modulus)
-        integer(c_int), parameter            :: CNTSTRMODEL_H0       = 0
-        ! Harmonic stretching model (Young's modulus depends on radius)
-        integer(c_int), parameter            :: CNTSTRMODEL_H1       = 1
-        ! Non-harmonic stretching with fracture, potential of type 0
-        integer(c_int), parameter            :: CNTSTRMODEL_NH0F     = 2
-        ! Non-harmonic stretching without fracture, potential of type 1
-        integer(c_int), parameter            :: CNTSTRMODEL_NH1      = 3
-        ! Non-harmonic stretching with fracture, potential of type 1
-        integer(c_int), parameter            :: CNTSTRMODEL_NH1F     = 4
-        ! Harmonic stretching model + axial buckling
-        integer(c_int), parameter            :: CNTSTRMODEL_H1B      = 5
-        ! Harmonic stretching model + axial buckling + hysteresis
-        integer(c_int), parameter            :: CNTSTRMODEL_H1BH     = 6
-
-        integer(c_int), parameter            :: CNTBNDMODEL_H        = 0     ! Harmonic bending model
-        integer(c_int), parameter            :: CNTBNDMODEL_HB       = 1     ! Harmonic bending - buckling model
-        integer(c_int), parameter            :: CNTBNDMODEL_HBF      = 2     ! Harmonic bending - buckling - fracture model
-        integer(c_int), parameter            :: CNTBNDMODEL_HBH      = 3     ! Harmonic bending - buckling + Hysteresis
-
-        integer(c_int), parameter            :: CNTPOTNMAX           = 4000  ! Maximum number of points in the interpolation tables
-
-!---------------------------------------------------------------------------------------------------
-! Parameters of potentials
-!---------------------------------------------------------------------------------------------------
-
-        ! Stretching potential
-
-        ! Type of the bending model
-        integer(c_int)                       :: CNTSTRModel  = CNTSTRMODEL_H1
-        ! Type of parameterization
-        integer(c_int)                       :: CNTSTRParams = 0
-        ! Type of dependence of the Young's modulus on tube radius
-        integer(c_int)                       :: CNTSTRYMT = 0
-
-        ! Parameters of non-harmonic potential and fracture model
-        real(c_double)                          :: CNTSTRR0     = 6.8d+00       ! Reference radius of nanotubes (A)
-                                                                                ! (this parameter is not used for the model
-                                                                                ! parametrization, but only for calculation of the
-                                                                                ! force constant in eV/A)
-        real(c_double)                          :: CNTSTRD0     = 3.4d+00       ! CNT wall thickness (A)
-        real(c_double)                          :: CNTSTREmin   = -0.4d+00      ! Minimum strain in tabulated potential
-        real(c_double)                          :: CNTSTREmax   = 0.13d+00      ! Maximum strain in tabulated potential.
-                                                                                ! Simultaneously, U=0 if E> CNTSTREmax
-        real(c_double)                          :: CNTSTREl     = 5.0d-02       ! Maximum linear strain
-        real(c_double)                          :: CNTSTREf     = 12.0d-02      ! Strain at failure
-        real(c_double)                          :: CNTSTRS0     = 0.850e+12     ! Young's modulus (Pa)
-        real(c_double)                          :: CNTSTRSl                     ! Maximum linear stress (Pa)
-        real(c_double)                          :: CNTSTRSf     = 75.0d+09      ! Tensile strength (Pa)
-        real(c_double)                          :: CNTSTRF0                     ! Elastic force constant (eV/A**2)
-        real(c_double)                          :: CNTSTRFl                     ! Maximal linear force, (eV/A**2)
-        real(c_double)                          :: CNTSTRFf                     ! Tensile force at failure (eV/A**2)
-        real(c_double)                          :: CNTSTRSi                     ! Maximum stress (not used in the model) (Pa)
-        real(c_double)                          :: CNTSTRDf                     ! dF/dE at failure
-
-        real(c_double)                          :: CNTSTRAA, CNTSTRBB           !
-        real(c_double)                          :: CNTSTRAAA, CNTSTRBBB         ! Auxiliary constants
-        real(c_double)                          :: CNTSTRUl, CNTSTRUf           !
-
-        ! Axial buckling - hysteresis approach
-        real(c_double)                          :: CNTSTREc     = -0.0142d+00   ! The minimum buckling strain
-        real(c_double)                          :: CNTSTREc1    = -0.04d+00     ! Critical axial buckling strain
-        real(c_double)                          :: CNTSTREc2    = -0.45d+00     ! Maximum buckling strain
-
-        ! Bending potential
-
-        integer(c_int)                       :: CNTBNDModel  = CNTBNDMODEL_H    ! Type of the bending model
-        ! Buckling model parameters
-        real(c_double)                          :: CNTBNDN      = 1.0d+00       ! Buckling exponent
-        real(c_double)                          :: CNTBNDB      = 0.68d+00      ! Buckling number
-        real(c_double)                          :: CNTBNDR      = 275.0d+00     ! Critical radius of curvature (A)
-                                                                                ! This is the mean value for (10,10) SWCNT
-        real(c_double)                          :: CNTBNDTF     = M_PI * 120.0d+00 / 180.0d+00 ! Fracture buckling angle (rad)
-        real(c_double)                          :: CNTBNDN1
-        real(c_double)                          :: CNTBNDC2
-
-contains !******************************************************************************************
-
-!---------------------------------------------------------------------------------------------------
-! Stretching potential
-!---------------------------------------------------------------------------------------------------
-
-        subroutine CNTSTRSetParameterization ( PType ) !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
-        ! This subroutine setups parameters for further parameterization of stretching models
-        ! References:
-        ! [1] Yu M.-F. et al., Phys. Rev. Lett. 84(24), 5552 (2000)
-        ! [2] Liew K.M. et al., Acta Materialia 52, 2521 (2004)
-        ! [3] Mielke S.L. et al., Chem. Phys. Lett. 390, 413 (2004)
-        ! [4] Zhigilei L.V. et al., Phys. Rev. B 71, 165417 (2005)
-        ! [5] Kelly B.T., Physics of graphite, 1981
-        !-------------------------------------------------------------------------------------------
-        integer(c_int), intent(in) :: PType
-        !-------------------------------------------------------------------------------------------
-                select case ( PType )
-                        case ( 0 ) ! This parametrization is based on averaged exp. data of Ref. [1]
-                                CNTSTRR0     = 6.8d+00       ! Ref. [1]
-                                CNTSTRD0     = 3.4d+00       ! Ref. [1]
-                                CNTSTREmin   = -0.4d+00      ! Chosen arbitrary
-                                CNTSTREmax   = 3.64d-02      ! = CNTSTREf + 0.005
-                                CNTSTREl     = 2.0d-02       ! Chosen arbitrary
-                                CNTSTREf     = 3.14d-02      ! Ref. [1]
-                                CNTSTRS0     = 1.002e+12     ! Ref. [1]
-                                CNTSTRSf     = 30.0d+09      ! Ref. [1]
-                        case ( 1 ) ! This parameterization is taken from Ref. [2] for (10,10) CNTs.
-                                   ! These values are obtained in MD simulations with REBO potential.
-                                   ! Values of Young's modulus, tensile strength and stress here
-                                   ! are close to those obtained in Ref. [3] for pristine (defectless)
-                                   ! (5,5) CNT in semi-empirical QM calculations based on PM3 model
-                                CNTSTRR0     = 6.785d+00     ! Calculated with the usual formula for (10,10) CNT
-                                CNTSTRD0     = 3.35d+00      ! Ref. [2]
-                                CNTSTREmin   = -0.4d+00      ! Chosen arbitrary
-                                CNTSTREmax   = 28.4d-02      ! = CNTSTREf + 0.005
-                                CNTSTREl     = 5.94d-02      ! Ref. [2]
-                                CNTSTREf     = 27.9d-02      ! Corresponds to maximum strain in Ref. [2]
-                                CNTSTRS0     = 1.031e+12     ! Ref. [2]
-                                CNTSTRSf     = 148.5d+09     ! Corresponds to tensile strength in Ref. [2]
-                        case ( 2 ) ! This parametrization is taken from Ref. [3] for (5,5) CNTs
-                                   ! with one atom vacancy defect obtained with the semi-empirical QM PM3 model
-                                CNTSTRR0     = 3.43d+00      ! Ref. [3]
-                                CNTSTRD0     = 3.4d+00       ! Ref. [3]
-                                CNTSTREmin   = -0.4d+00      ! Chosen arbitrary
-                                CNTSTREmax   = 15.8d-02      ! = CNTSTREf + 0.005
-                                CNTSTREl     = 6.00d-02      ! Chosen similar to Ref. [2]
-                                CNTSTREf     = 15.3d-02      ! Ref. [3]
-                                CNTSTRS0     = 1.100e+12     ! Ref. [3]
-                                CNTSTRSf     = 100.0d+09     ! Ref. [3]
-                        case ( 3 ) ! This special parameterization changes only the value of Young's modulus
-                                   ! in accordance with the stretching constant in Ref. [4]
-                                CNTSTRS0     = ( 86.64d+00 + 100.56d+00 * CNTSTRR0 ) * K_MDFU &
-                                        / ( M_2PI * CNTSTRR0 * CNTSTRD0 * 1.0d-20 ) ! Ref. [4]
-                        case ( 4 ) ! This special parameterization changes only the value of Young's modulus
-                                   ! making it equal to the in-plane Young's modulus of graphite
-                                CNTSTRR0     = 6.785d+00     ! Calculated with the usual formula for (10,10) CNT
-                                CNTSTRD0     = 3.4d+00       ! Ref. [1]
-                                CNTSTRS0     = 1.06e+12      ! Ref. [5]
-                end select
-        end subroutine CNTSTRSetParameterization !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
-
-        !
-        ! Stretching without fracture, harmonic potential
-        !
-
-        integer(c_int) function CNTSTRH0Calc ( U, dUdL, L, R0, L0 ) !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
-        ! Young's modulus is independent of R.
-        !-------------------------------------------------------------------------------------------
-        real(c_double), intent(out)     :: U, dUdL
-        real(c_double), intent(in)      :: L, R0, L0
-        real(c_double)                  :: E
-        !-------------------------------------------------------------------------------------------
-                E    = ( L - L0 ) / L0
-                dUdL = R0 * CNTSTRF0 * E
-                U    = 0.5d+00 * L0 * E * dUdL
-                CNTSTRH0Calc = CNTPOT_STRETCHING
-        end function CNTSTRH0Calc !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
-
-        integer(c_int) function CNTSTRH1Calc ( U, dUdL, L, R0, L0 ) !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
-        ! Young's modulus depends on R, see [4].
-        !-------------------------------------------------------------------------------------------
-        real(c_double), intent(out)     :: U, dUdL
-        real(c_double), intent(in)      :: L, R0, L0
-        real(c_double)                  :: E, K
-        !-------------------------------------------------------------------------------------------
-                E    = ( L - L0 ) / L0
-                K    = 86.64d+00 + 100.56d+00 * R0
-                dUdL = K * E
-                U    = 0.5d+00 * L0 * E * dUdL
-                CNTSTRH1Calc = CNTPOT_STRETCHING
-        end function CNTSTRH1Calc !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
-
-        !
-        ! Stretching without fracture, harmonic potential, with axial buckling without hysteresis
-        !
-
-        integer(c_int) function CNTSTRH1BCalc ( U, dUdL, L, R0, L0 ) !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
-        ! Young's modulus depends on R, see [4].
-        ! Axial buckling without hysteresis.
-        !-------------------------------------------------------------------------------------------
-        real(c_double), intent(out)     :: U, dUdL
-        real(c_double), intent(in)      :: L, R0, L0
-        real(c_double)                  :: E, K, Kbcl, dUbcl, d, ud
-        !-------------------------------------------------------------------------------------------
-                E    = ( L - L0 ) / L0
-                K    = 86.64d+00 + 100.56d+00 * R0
-                Kbcl = -10.98d+00 * L0
-                if ( E .gt. CNTSTREc ) then ! Harmonic stretching
-                        dUdL = K * E
-                        U    = 0.5d+00 * L0 * E * dUdL
-                        CNTSTRH1BCalc = CNTPOT_STRETCHING
-                else if ( E .gt. CNTSTREc2 ) then ! Axial buckling
-                        dUbcl = 0.5d+00 * L0 * K * CNTSTREc * CNTSTREc - Kbcl * CNTSTREc
-                        U = Kbcl * E + dUbcl
-                        dUdL = Kbcl / L0
-                        CNTSTRH1BCalc = CNTPOT_STRETCHING
-                else    ! Return to harmonic potential
-                        d = -0.0142794
-                        dUdL = K * ( d + E - CNTSTREc2 )
-                        dUbcl = 0.5d+00 * L0 * K * CNTSTREc * CNTSTREc - Kbcl * CNTSTREc + Kbcl * CNTSTREc2
-                        Ud = 0.5d+00 * L0 * K * d * d
-                        U = 0.5d+00 * L0 *  (d+E-CNTSTREc2) * dUdL + dUbcl - Ud
-                        CNTSTRH1BCalc = CNTPOT_STRETCHING
-                end if
-        end function CNTSTRH1BCalc !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
-
-        !
-        ! Stretching without fracture, harmonic potential, with axial buckling with hysteresis
-        !
-
-        integer(c_int) function CNTSTRH1BHCalc ( U, dUdL, L, R0, L0, ABF, Ebuc ) !!!!!!!!!!!!!!!!!!!
-        ! Young's modulus depends on R, see [4]
-        !-------------------------------------------------------------------------------------------
-        real(c_double), intent(out)     :: U, dUdL, Ebuc
-        real(c_double), intent(in)      :: L, R0, L0
-        integer(c_int), intent(in)   :: ABF
-        !-------------------------------------------------------------------------------------------
-        real(c_double)                  :: E, K, dUbcl, Ebcl, Kbcl, Edu
-        real(c_double)                  :: C, DE, t
-        !-------------------------------------------------------------------------------------------
-                E = ( L - L0 ) / L0
-                K = 86.64d+00 + 100.56d+00 * R0
-                Kbcl = -10.98d+00 * L0
-                if ( E .gt. CNTSTREc ) then ! Harmonic potential - no buckling
-                        dUdL = K * E
-                        U = 0.5d+00 * L0 * E * dUdL
-                        CNTSTRH1BHCalc = CNTPOT_STRETCHING
-                        Ebuc = 0.0d+00
-                else if ( E .gt. CNTSTREc1 ) then  ! Above minimal buckling strain, but not at critical strain
-                        if ( ABF .eq. 0 ) then ! Not buckled. Continue harmonic potential
-                                dUdL = K * E
-                                U = 0.5d+00 * L0 * E * dUdL
-                                CNTSTRH1BHCalc = CNTPOT_STRETCHING
-                                Ebuc = 0.0d+00
-                        else   ! Relaxing from buckled state. Use buckling potential
-                                dUbcl = 0.5d+00 * L0 * K * CNTSTREc * CNTSTREc - Kbcl * CNTSTREc
-                                U = Kbcl * E + dUbcl
-                                dUdL = Kbcl / L0
-                                CNTSTRH1BHCalc = CNTPOT_SBUCKLING
-                                Ebuc = 0.0d+00
-                        end if
-                else if( E .gt. CNTSTREc2 ) then ! Axial buckling strain region
-                        if ( ABF .eq. 0 ) then ! Newly buckled
-                                dUbcl = 0.5d+00 * L0 * K * CNTSTREc * CNTSTREc - Kbcl * CNTSTREc
-                                U = Kbcl * E + dUbcl
-                                dUdL = Kbcl / L0
-                                CNTSTRH1BHCalc = CNTPOT_SBUCKLING
-                                Ebuc = 0.5d+00 * L0 * K * CNTSTREc1 * CNTSTREc1 - Kbcl * CNTSTREc1 - dUbcl
-                        else ! Already buckled
-                                dUbcl = 0.5d+00 * L0 * K * CNTSTREc * CNTSTREc - Kbcl * CNTSTREc
-                                U = Kbcl * E + dUbcl
-                                dUdL = Kbcl / L0
-                                CNTSTRH1BHCalc = CNTPOT_SBUCKLING
-                                Ebuc = 0.0d+00
-                        end if
-                else  ! Maximum strain and return to harmonic potential
-                        dUdL = K * E
-                        U = 0.5d+00 * L0 * E * dUdL
-                        CNTSTRH1BHCalc = CNTPOT_STRETCHING
-                        Ebuc = 0.0d+00
-                end if
-        end function CNTSTRH1BHCalc !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
-
-        !
-        ! Stretching with fracture, non-harmonic potential of type 0
-        !
-
-        integer(c_int) function CNTSTRNH0FCalc ( U, dUdL, L, R0, L0 ) !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
-        real(c_double), intent(out)     :: U, dUdL
-        real(c_double), intent(in)      :: L, R0, L0
-        real(c_double)                  :: E, DE, t
-        !-------------------------------------------------------------------------------------------
-                E = ( L - L0 ) / L0
-                if ( E < CNTSTREf ) then
-                        dUdL = ( CNTSTRAA - CNTSTRBB * E ) * E
-                        U    = ( CNTSTRAAA - CNTSTRBBB * E ) * E * E
-                        CNTSTRNH0FCalc = CNTPOT_STRETCHING
-                else
-                        dUdL = 0.0d+00
-                        U    = 0.0d+00
-                        CNTSTRNH0FCalc = CNTPOT_SFRACTURE
-                end if
-                U    = L0 * R0 * U
-                dUdL = R0 * dUdL
-        end function CNTSTRNH0FCalc !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
-
-        subroutine CNTSTRNH0Init () !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
-        real(c_double)          :: S
-        !-------------------------------------------------------------------------------------------
-                S        = M_2PI * CNTSTRD0 * 1.0e-20 / K_MDFU
-                CNTSTRSl = CNTSTRS0 * CNTSTREl
-                CNTSTRF0 = CNTSTRS0 * S
-                CNTSTRFl = CNTSTRSl * S
-                CNTSTRFf = CNTSTRSf * S
-                CNTSTRAA = CNTSTRF0
-                CNTSTRBB = ( CNTSTRF0 * CNTSTREf - CNTSTRFf ) / ( CNTSTREf * CNTSTREf )
-                CNTSTRAAA= CNTSTRAA / 2.0d+00
-                CNTSTRBBB= CNTSTRAA / 3.0d+00
-                CNTSTRUl = 0.0d+00
-                CNTSTRUf = ( CNTSTRAAA - CNTSTRBBB * CNTSTREf ) * CNTSTREf * CNTSTREf
-                ! These two values are not defined yet
-                CNTSTRSi = 0.0d+00
-                CNTSTRDf = 0.0d+00
-        end subroutine CNTSTRNH0Init !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
-
-        !
-        ! Stretching without fracture, non-harmonic potential of type 1
-        !
-
-        integer(c_int) function CNTSTRNH1Calc ( U, dUdL, L, R0, L0 ) !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
-        real(c_double), intent(out)     :: U, dUdL
-        real(c_double), intent(in)      :: L, R0, L0
-        real(c_double)                  :: E, C, DE, t
-        !-------------------------------------------------------------------------------------------
-                E = ( L - L0 ) / L0
-                if ( E < CNTSTREl ) then
-                        dUdL = CNTSTRF0 * E
-                        U    = 0.5d+00 * E * dUdL
-                        CNTSTRNH1Calc = CNTPOT_STRETCHING
-                else
-                        DE   = E - CNTSTREl
-                        C    = 1.0 + CNTSTRBB * DE
-                        dUdL = CNTSTRFl + CNTSTRAA * ( 1.0d+00 - 1.0d+00 / C )
-                        U    = CNTSTRUl + CNTSTRAAA * DE - CNTSTRBBB * dlog ( C )
-                end if
-                CNTSTRNH1Calc = CNTPOT_STRETCHING
-                U    = L0 * R0 * U
-                dUdL = R0 * dUdL
-        end function CNTSTRNH1Calc !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
-
-        !
-        ! Stretching with fracture, non-harmonic potential of type 1
-        !
-
-        integer(c_int) function CNTSTRNH1FCalc ( U, dUdL, L, R0, L0 ) !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
-        real(c_double), intent(out)     :: U, dUdL
-        real(c_double), intent(in)      :: L, R0, L0
-        real(c_double)                  :: E, C, DE, t
-        !-------------------------------------------------------------------------------------------
-                E = ( L - L0 ) / L0
-                if ( E < CNTSTREl ) then
-                        dUdL = CNTSTRF0 * E
-                        U    = 0.5d+00 * E * dUdL
-                        CNTSTRNH1FCalc = CNTPOT_STRETCHING
-                else if ( E < CNTSTREf ) then
-                        DE   = E - CNTSTREl
-                        C    = 1.0 + CNTSTRBB * DE
-                        dUdL = CNTSTRFl + CNTSTRAA * ( 1.0d+00 - 1.0d+00 / C )
-                        U    = CNTSTRUl + CNTSTRAAA * DE - CNTSTRBBB * dlog ( C )
-                        CNTSTRNH1FCalc = CNTPOT_STRETCHING
-                else
-                        dUdL = 0.0d+00
-                        U    = 0.0d+00
-                        CNTSTRNH1FCalc = CNTPOT_SFRACTURE
-                end if
-                U    = L0 * R0 * U
-                dUdL = R0 * dUdL
-        end function CNTSTRNH1FCalc !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
-
-        subroutine CNTSTRNH1Init () !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
-        real(c_double)          :: S, C, E, t
-        integer(c_int)       :: i, CaseID
-        !-------------------------------------------------------------------------------------------
-                S        = M_2PI * CNTSTRD0 * 1.0e-20 / K_MDFU
-                CNTSTRSl = CNTSTRS0 * CNTSTREl
-                CNTSTRF0 = CNTSTRS0 * S
-                CNTSTRFl = CNTSTRSl * S
-                CNTSTRFf = CNTSTRSf * S
-                CNTSTRAA = ( CNTSTRFf - CNTSTRFl ) * ( CNTSTREf * CNTSTRF0 - CNTSTRFl ) / ( CNTSTREf * CNTSTRF0 - CNTSTRFf )
-                CNTSTRBB = CNTSTRF0 / CNTSTRAA
-                CNTSTRAAA= CNTSTRFl + CNTSTRAA
-                CNTSTRBBB= CNTSTRAA / CNTSTRBB
-                CNTSTRSi = CNTSTRSl + CNTSTRAA / S
-                C        =  1.0 + CNTSTRBB * ( CNTSTREf - CNTSTREl )
-                CNTSTRDf = CNTSTRF0 / C / C
-                CNTSTRUl = 0.5d+00 * CNTSTRFl * CNTSTREl
-                CNTSTRUf = CNTSTRUl + ( CNTSTRFl + CNTSTRAA ) * ( CNTSTREf - CNTSTREl ) - CNTSTRAA * dlog ( C ) / CNTSTRBB
-        end subroutine CNTSTRNH1Init !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
-
-        !
-        ! General
-        !
-
-        integer(c_int) function CNTSTRCalc ( U, dUdL, L, R0, L0 , ABF, Ebuc ) !!!!!!!!!!!!!!!!!!!!!!!
-        real(c_double), intent(out)     :: U, dUdL, Ebuc
-        real(c_double), intent(in)      :: L, R0, L0
-        integer(c_int), intent(in)      :: ABF
-        !-------------------------------------------------------------------------------------------
-                Ebuc = 0.0d+00
-                select case ( CNTSTRModel )
-                        case ( CNTSTRMODEL_H0 )
-                                CNTSTRCalc = CNTSTRH0Calc ( U, dUdL, L, R0, L0 )
-                        case ( CNTSTRMODEL_H1 )
-                                CNTSTRCalc = CNTSTRH1Calc ( U, dUdL, L, R0, L0 )
-                        case ( CNTSTRMODEL_NH0F )
-                                CNTSTRCalc = CNTSTRNH0FCalc ( U, dUdL, L, R0, L0 )
-                        case ( CNTSTRMODEL_NH1 )
-                                CNTSTRCalc = CNTSTRNH1Calc ( U, dUdL, L, R0, L0 )
-                        case ( CNTSTRMODEL_NH1F )
-                                CNTSTRCalc = CNTSTRNH1FCalc ( U, dUdL, L, R0, L0 )
-                        case ( CNTSTRMODEL_H1B )
-                                CNTSTRCalc = CNTSTRH1BCalc ( U, dUdL, L, R0, L0 )
-                        case ( CNTSTRMODEL_H1BH )
-                                CNTSTRCalc = CNTSTRH1BHCalc ( U, dUdL, L, R0, L0, ABF, Ebuc )
-                end select
-        end function CNTSTRCalc !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
-
-        subroutine CNTSTRInit ( STRModel, STRParams, YMType, Rref ) !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
-        integer(c_int), intent(in)   :: STRModel, STRParams, YMType
-        real(c_double), intent(in)      :: Rref
-        !-------------------------------------------------------------------------------------------
-                CNTSTRModel = STRModel
-                CNTSTRParams = STRParams
-                CNTSTRYMT = YMType
-                if ( STRModel .ne. CNTSTRMODEL_H1 ) then
-                        call CNTSTRSetParameterization ( STRParams )
-                        if ( YMType == 2 ) then
-                                call CNTSTRSetParameterization ( 4 )
-                        else if ( YMType == 1 ) then
-                                CNTSTRR0 = Rref
-                                call CNTSTRSetParameterization ( 3 )
-                        end if
-                        if ( STRModel == CNTSTRMODEL_NH0F ) then
-                                call CNTSTRNH0Init ()
-                        else
-                                call CNTSTRNH1Init ()
-                        end if
-                end if
-        end subroutine CNTSTRInit !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
-
-!---------------------------------------------------------------------------------------------------
-! Bending potentials
-!---------------------------------------------------------------------------------------------------
-
-        subroutine BendingGradients ( K, G0, G1, G2, R0, R1, R2 ) !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
-        real(c_double), intent(inout)                   :: K
-        real(c_double), dimension(0:2), intent(inout)   :: G0, G1, G2
-        real(c_double), dimension(0:2), intent(in)      :: R0, R1, R2
-        real(c_double), dimension(0:2)                  :: DR0, DR2
-        real(c_double)                                  :: L0, L2
-        !-------------------------------------------------------------------------------------------
-                DR0 = R0 - R1
-                DR2 = R2 - R1
-                L0 = S_V3norm3 ( DR0 )
-                L2 = S_V3norm3 ( DR2 )
-                DR0 = DR0 / L0
-                DR2 = DR2 / L2
-                K = S_V3xV3 ( DR0, DR2 )
-                G0 = DR2 - K * DR0
-                G2 = DR0 - K * DR2
-                G0 = G0 / L0
-                G2 = G2 / L2
-                G1 = - ( G0 + G2 )
-        end subroutine BendingGradients !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
-
-        integer(c_int) function CNTBNDHCalc ( U, dUdC, C, R0, L0 ) !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
-        ! Bending model of type 0:Harmonic bending potential.
-        !-------------------------------------------------------------------------------------------
-        real(c_double), intent(out)             :: U, dUdC
-        real(c_double), intent(in)              :: C, R0, L0
-        real(c_double)                          :: E, K
-        !-------------------------------------------------------------------------------------------
-                E = 1.0d+00 - C
-                K  = 2.0d+00 * ( 63.8d+00 * R0**2.93d+00 ) / L0
-                U    = K * ( 1.0d+00 + C ) / E
-                dUdC = 2.0d+00 * K / ( E * E )
-                CNTBNDHCalc = CNTPOT_BENDING
-        end function CNTBNDHCalc !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
-
-        integer(c_int) function CNTBNDHBCalc ( U, dUdC, C, R0, L0 ) !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
-        ! Bending model of type 1: Harmonic bending potential with buckling.
-        !-------------------------------------------------------------------------------------------
-        real(c_double), intent(out)             :: U, dUdC
-        real(c_double), intent(in)              :: C, R0, L0
-        real(c_double)                          :: E1, E2, C2, Kbnd, Kbcl, Theta, DUbcl
-        !-------------------------------------------------------------------------------------------
-                E1 = 1.0d+00 - C
-                E2 = 1.0d+00 + C
-                ! Calculate the square of curvature
-                C2 = 4.0d+00 * E2 / ( L0 * L0 * E1 )
-                ! Check the condition for buckling
-                if ( C2 .ge. CNTBNDC2 ) then ! Buckling takes place
-                        Theta= M_PI - acos ( C )
-                        Kbnd = 63.8d+00 * R0**2.93d+00
-                        Kbcl = CNTBNDB * Kbnd / CNTBNDR
-                        DUbcl= Kbnd * ( CNTBNDB * ( M_PI - 2.0d+00 * atan ( 2.0 * CNTBNDR / L0 ) ) - 0.5d+00 * L0 / CNTBNDR ) &
-                                / CNTBNDR
-                        U    = Kbcl * abs( Theta )**CNTBNDN - DUbcl
-                        dUdC = Kbcl * CNTBNDN * abs( Theta )**CNTBNDN1 / sqrt ( 1.0d+00 - C * C )
-                        CNTBNDHBCalc = CNTPOT_BBUCKLING
-                else ! Harmonic bending
-                        Kbnd = 2.0d+00 * ( 63.8d+00 * R0**2.93d+00 ) / L0
-                        U    = Kbnd * E2 / E1
-                        dUdC = 2.0d+00 * Kbnd / ( E1 * E1 )
-                        CNTBNDHBCalc = CNTPOT_BENDING
-                end if
-        end function CNTBNDHBCalc !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
-
-        integer(c_int) function CNTBNDHBFCalc ( U, dUdC, C, R0, L0 ) !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
-        real(c_double), intent(out)             :: U, dUdC
-        real(c_double), intent(in)              :: C, R0, L0
-        real(c_double)                          :: E1, E2, C2, Kbnd, Kbcl, Theta, DUbcl
-        !-------------------------------------------------------------------------------------------
-                E1 = 1.0d+00 - C
-                E2 = 1.0d+00 + C
-                ! Calculate the square of curvature
-                C2 = 4.0d+00 * E2 / ( L0 * L0 * E1 )
-                ! Check the condition for buckling
-                if ( C2 .ge. CNTBNDC2 ) then ! Buckling takes place
-                        Theta= M_PI - acos ( C )
-                        if ( Theta > CNTBNDTF ) then ! Fracture takes place
-                                U    = 0.0d+00
-                                dUdC = 0.0d+00
-                                CNTBNDHBFCalc = CNTPOT_BFRACTURE
-                        else
-                                Kbnd = 63.8d+00 * R0**2.93d+00
-                                Kbcl = CNTBNDB * Kbnd / CNTBNDR
-                                DUbcl= Kbnd * ( CNTBNDB * ( M_PI - 2.0d+00 * atan ( 2.0 * CNTBNDR / L0 ) ) - &
-                                  0.5d+00 * L0 / CNTBNDR ) / CNTBNDR
-                                U    = Kbcl * abs ( Theta )**CNTBNDN - DUbcl
-                                dUdC = Kbcl * CNTBNDN * abs ( Theta )**CNTBNDN1 / sqrt ( 1.0d+00 - C * C )
-                                CNTBNDHBFCalc = CNTPOT_BBUCKLING
-                        end if
-                else ! Harmonic bending
-                        Kbnd = 2.0d+00 * ( 63.8d+00 * R0**2.93d+00 ) / L0
-                        U    = Kbnd * E2 / E1
-                        dUdC = 2.0d+00 * Kbnd / ( E1 * E1 )
-                        CNTBNDHBFCalc = CNTPOT_BENDING
-                end if
-        end function CNTBNDHBFCalc !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
-
-        integer(c_int) function CNTBNDHBHCalc ( U, dUdC, C, R0, L0, BBF, Ebuc ) !!!!!!!!!!!!!!!!!!!!
-        ! Bending model of type 1: Harmonic bending potential with buckling with hysteresis approach.
-        !-------------------------------------------------------------------------------------------
-        real(c_double), intent(out)             :: U, dUdC, Ebuc
-        real(c_double), intent(in)              :: C , R0, L0
-        integer(c_int), intent(in)           :: BBF
-        real(c_double)                          :: E1, E2, C2, Kbnd, Kbcl,Theta,DUbcl, Ubcl, Cmin,Rmax
-        !-------------------------------------------------------------------------------------------
-                Rmax = 340.0d+00
-                Cmin = 1.0/(Rmax*Rmax)
-                E1 = 1.0d+00 - C
-                E2 = 1.0d+00 + C
-                ! Calculate the square of curvature
-                C2 = 4.0d+00 * E2 / ( L0 * L0 * E1 )
-                Theta = M_PI - acos ( C )
-                if ( C2 .lt. Cmin ) then  ! Harmonic bending
-                        Kbnd = 2.0d+00 * ( 63.8d+00 * R0**2.93d+00 ) / L0
-                        U    = Kbnd * E2 / E1
-                        dUdC = 2.0d+00 * Kbnd / ( E1 * E1 )
-                        CNTBNDHBHCalc = CNTPOT_BENDING
-                        Ebuc = 0.0
-                else if ( C2 .ge. Cmin .and. C2 .lt. CNTBNDC2 ) then  ! Potential depends on buckling flag of a node
-                        if ( BBF .eq. 0 ) then ! Not buckled yet. Continue harmonic bending
-                                Kbnd = 2.0d+00 * ( 63.8d+00 * R0**2.93d+00 ) / L0
-                                U    = Kbnd * E2 / E1
-                                dUdC = 2.0d+00 * Kbnd / ( E1 * E1 )
-                                CNTBNDHBHCalc = CNTPOT_BENDING
-                                Ebuc = 0.0d+00
-                        else ! Already has been buckled or is buckled. Use buckling potential until Cmin.
-                                Theta= M_PI - acos ( C )
-                                Kbnd = 63.8d+00 * R0**2.93d+00
-                                Kbcl = CNTBNDB * Kbnd / CNTBNDR
-                                DUbcl= 2.0d+00*Kbnd * &
-                                        (1.0d+00+cos(l0/Rmax+M_PI))/(1.0d+00-cos(l0/Rmax+M_PI))/L0-Kbcl*abs(l0/Rmax)**CNTBNDN
-                                U    = Kbcl * abs( Theta )**CNTBNDN + DUbcl
-                                dUdC = Kbcl * CNTBNDN * abs( Theta )**CNTBNDN1 / sqrt ( 1.0d+00 - C * C )
-                                Ebuc = 0.0d+00
-                                CNTBNDHBHCalc = CNTPOT_BBUCKLING
-                        end if
-                   else ! Greater than buckling critical point
-                        if ( BBF .eq. 1 ) then ! Already buckled
-                                Theta= M_PI - acos ( C )
-                                Kbnd = 63.8d+00 * R0**2.93d+00
-                                Kbcl = CNTBNDB * Kbnd / CNTBNDR
-                                DUbcl= 2.0d+00*Kbnd * &
-                                        (1.0d+00+cos(l0/Rmax+M_PI))/(1.0d+00-cos(l0/Rmax+M_PI))/L0-Kbcl*abs(l0/Rmax)**CNTBNDN
-                                U    = Kbcl * abs( Theta )**CNTBNDN + DUbcl
-                                dUdC = Kbcl * CNTBNDN * abs( Theta )**CNTBNDN1 / sqrt ( 1.0d+00 - C * C )
-                                Ebuc = 0.0d00
-                                CNTBNDHBHCalc = CNTPOT_BBUCKLING
-                        else ! Newly buckled
-                                Theta= M_PI - acos ( C )
-                                Kbnd = 63.8d+00 * R0**2.93d+00
-                                Kbcl = CNTBNDB * Kbnd / CNTBNDR
-                                DUbcl= 2.0d+00*Kbnd * &
-                                        (1.0d+00+cos(l0/Rmax+M_PI))/(1.0d+00-cos(l0/Rmax+M_PI))/L0-Kbcl*abs(l0/Rmax)**CNTBNDN
-                                U    = Kbcl * abs( Theta )**CNTBNDN + DUbcl
-                                dUdC = Kbcl * CNTBNDN * abs( Theta )**CNTBNDN1 / sqrt ( 1.0d+00 - C * C )
-                                Ebuc = 2.0d+00*Kbnd * (1.0d+00+cos(l0/CNTBNDR+M_PI)) / (1.0d+00-cos(l0/CNTBNDR+M_PI))/L0 &
-                                        - Kbcl * abs ( l0 / CNTBNDR ) ** CNTBNDN - dUbcl
-                                CNTBNDHBHCalc = CNTPOT_BBUCKLING
-                        end if
-                end if
-        end function CNTBNDHBHCalc !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
-
-        !
-        ! General
-        !
-
-        integer(c_int) function CNTBNDCalc ( U, dUdC, C, R0, L0, BBF, Ebuc ) !!!!!!!!!!!!!!!!!!!!!!!
-        real(c_double), intent(out)             :: U, dUdC, Ebuc
-        real(c_double), intent(in)              :: C, R0, L0
-        integer(c_int), intent(in)           :: BBF
-        !-------------------------------------------------------------------------------------------
-                Ebuc = 0.0d+00
-                select case ( CNTBNDModel )
-                        case ( CNTBNDMODEL_H )
-                                CNTBNDCalc = CNTBNDHCalc ( U, dUdC, C, R0, L0 )
-                        case ( CNTBNDMODEL_HB )
-                                CNTBNDCalc = CNTBNDHBCalc ( U, dUdC, C, R0, L0 )
-                        case ( CNTBNDMODEL_HBF )
-                                CNTBNDCalc = CNTBNDHBFCalc ( U, dUdC, C, R0, L0 )
-                        case ( CNTBNDMODEL_HBH )
-                                CNTBNDCalc = CNTBNDHBHCalc ( U, dUdC, C, R0, L0, BBF, Ebuc )
-                end select
-        end function CNTBNDCalc !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
-
-        subroutine CNTBNDInit ( BNDModel ) !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
-        integer(c_int), intent(in)   :: BNDModel
-        real(c_double)                  :: A, E
-        integer(c_int)               :: i
-        !-------------------------------------------------------------------------------------------
-                CNTBNDModel= BNDModel
-                CNTBNDN1   = CNTBNDN - 1.0d+00
-                CNTBNDC2   = 1.0d+00 / ( CNTBNDR * CNTBNDR )
-        end subroutine CNTBNDInit !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
-
-!---------------------------------------------------------------------------------------------------
-! Module initialization
-!---------------------------------------------------------------------------------------------------
-
-        subroutine InitCNTPotModule ( STRModel, STRParams, YMType, BNDModel, Rref ) !!!!!!!!!!!!!!!!
-        integer(c_int), intent(in)   :: STRModel, STRParams, YMType, BNDModel
-        real(c_double), intent(in)      :: Rref
-        !-------------------------------------------------------------------------------------------
-                call CNTSTRInit ( STRModel, STRParams, YMType, Rref )
-                call CNTBNDInit ( BNDModel )
-        end subroutine InitCNTPotModule !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
-
-end module CNTPot !*********************************************************************************
diff --git a/lib/mesont/ExportCNT.f90 b/lib/mesont/ExportCNT.f90
deleted file mode 100644
index e86ada0c7c..0000000000
--- a/lib/mesont/ExportCNT.f90
+++ /dev/null
@@ -1,150 +0,0 @@
-! ------------ ----------------------------------------------------------
-!   LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
-!   https://www.lammps.org/ Sandia National Laboratories
-!   LAMMPS development team: developers@lammps.org
-!
-!   Copyright (2003) Sandia Corporation.  Under the terms of Contract
-!   DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains
-!   certain rights in this software.  This software is distributed under
-!   the GNU General Public License.
-!
-!   See the README file in the top-level LAMMPS directory.
-!
-!   Contributing author: Maxim Shugaev (UVA), mvs9t@virginia.edu
-!-------------------------------------------------------------------------
-
-module ExportCNT !**********************************************************************************
-
-    use iso_c_binding
-    use CNTPot
-    use TPMLib
-    use TubePotMono
-    use TPMForceField
-    implicit none
-
-contains
-
-    subroutine InitCNTPotModule_(STRModel, STRParams, YMType, BNDModel, Rref) &
-        bind(c, name = "mesont_lib_InitCNTPotModule")
-        integer(c_int), intent(in)      :: STRModel, STRParams, YMType, BNDModel
-        real(c_double), intent(in)      :: Rref
-
-        call InitCNTPotModule(STRModel, STRParams, YMType, BNDModel, Rref)
-    endsubroutine
-
-    subroutine TPBInit_() &
-        bind(c, name = "mesont_lib_TPBInit")
-
-        call TPBInit()
-    endsubroutine
-
-    subroutine TPMInit_(M, N) &
-        bind(c, name = "mesont_lib_TPMInit")
-        integer(c_int), intent(in) :: M, N
-
-        call TPMInit(M, N)
-    endsubroutine
-
-    subroutine SetTablePath_(TPMFile_, N) &
-        bind(c, name = "mesont_lib_SetTablePath")
-        integer(c_int), intent(in)                      :: N
-        character(c_char), intent(in), dimension(N)     :: TPMFile_
-        integer                                         :: i
-
-        do i = 1, len(TPMFile)
-            if (i <= N) then
-                TPMFile(i:i) = TPMFile_(i)
-            else
-                TPMFile(i:i) = ' '
-            endif
-        enddo
-    endsubroutine
-
-    function get_R_ () &
-        bind(c, name = "mesont_lib_get_R")
-        real(c_double) :: get_R_
-        get_R_ = TPMR1
-        return
-    endfunction
-
-
-    subroutine TubeStretchingForceField_(U1, U2, F1, F2, S1, S2, X1, X2, R12, L12) &
-        bind(c, name = "mesont_lib_TubeStretchingForceField")
-        ! Interaction energies associated with nodes X1 and X2
-        real(c_double), intent(inout)                           :: U1, U2
-        ! Forces exerted on nodes X1 and X2
-        real(c_double), intent(inout), dimension(0:2)           :: F1, F2
-        ! Contributions of nodes X1 and X2 to the virial stress tensor
-        real(c_double), intent(inout), dimension(0:2,0:2)       :: S1, S2
-        ! Coordinates of the segment nodes
-        real(c_double), intent(in), dimension(0:2)              :: X1, X2
-        ! Radius of a nanotube the segment (X1,X2) belongs to
-        real(c_double), intent(in)                              :: R12
-        ! Equilibrium length of segment (X1,X2)
-        real(c_double), intent(in)                              :: L12
-
-        call TubeStretchingForceField(U1, U2, F1, F2, S1, S2, X1, X2, R12, L12)
-    endsubroutine
-
-    subroutine TubeBendingForceField_(U1, U2, U3, F1, F2, F3, S1, S2, S3, X1, X2, X3, R123, L123, BBF2) &
-        bind(c, name = "mesont_lib_TubeBendingForceField")
-        ! Interaction energies associated with nodes X1, X2, and X3
-        real(c_double), intent(inout)                           :: U1, U2, U3
-        ! Forces exerted on nodes X1, X2, and X3
-        real(c_double), intent(inout), dimension(0:2)           :: F1, F2, F3
-        ! Contributions of nodes X1, X2, and X3 to the virial stress tensor
-        real(c_double), intent(inout), dimension(0:2,0:2)       :: S1, S2, S3
-        ! Coordinates of nodes
-        real(c_double), intent(in), dimension(0:2)              :: X1, X2, X3
-        ! Radius of nanotube the segment (X1,X2) belongs to
-        real(c_double), intent(in)                              :: R123
-        ! Equilibrium length of segment (X1,X2) and (X2,X3) (It is assumed to be the same for both segments)
-        real(c_double), intent(in)                              :: L123
-        integer(c_int), intent(inout)                           :: BBF2
-
-        call TubeBendingForceField(U1, U2, U3, F1, F2, F3, S1, S2, S3, X1, X2, X3, R123, L123, BBF2 )
-    endsubroutine
-
-    subroutine SegmentTubeForceField_(U1,U2,U,F1,F2,F,Fe,S1,S2,S,Se,X1,X2,R12,N,X,Xe,BBF,R,E1,E2,Ee,TPMType)&
-        bind(c, name = "mesont_lib_SegmentTubeForceField")
-        ! Number of nodes in array X
-        integer(c_int), intent(in)                              :: N
-        ! Interaction energies associated with nodes X1 and X2
-        real(c_double), intent(inout)                           :: U1, U2
-        ! Interaction energies associated with nodes X
-        real(c_double), intent(inout), dimension(0:N-1)         :: U
-        ! Forces exerted on nodes X1 and X2
-        real(c_double), intent(inout), dimension(0:2)           :: F1, F2
-        ! Forces exerted on nodes X
-        real(c_double), intent(inout), dimension(0:2,0:N-1)     :: F
-        ! Force exerted on node Xe (can be updated only if Ee > 0)
-        real(c_double), intent(inout), dimension(0:2)           :: Fe
-        ! Contributions of nodes X1 and X2 to the virial stress tensor
-        real(c_double), intent(inout), dimension(0:2,0:2)       :: S1, S2
-        ! Contributions of nodes X to the virial stress tensor
-        real(c_double), intent(inout), dimension(0:2,0:2,0:N-1) :: S
-        ! Contributions of node Xe to the virial stress tensor (can be updated only if Ee > 0)
-        real(c_double), intent(inout), dimension(0:2,0:2)       :: Se
-        ! Coordinates of the segment nodes
-        real(c_double), intent(in), dimension(0:2)              :: X1, X2
-        ! Radius of nanotube the segment (X1,X2) belongs to
-        real(c_double), intent(in)                              :: R12
-        ! Coordinates of the nanotube nodes
-        real(c_double), intent(in), dimension(0:2,0:N-1)        :: X
-        ! Additional node of the extended chain if Ee > 0
-        real(c_double), intent(in), dimension(0:2)              :: Xe
-        ! Bending buckling flags (BBF(i) = 1 in a case of buckling in node i)
-        integer(c_int), intent(in), dimension(0:N-1)            :: BBF
-        ! Radius of nanotube X
-        real(c_double), intent(in)                              :: R
-        ! E1 = 1 if the chain node 0 is a CNT end; E2 = 1 if the chain node N-1 is a CNT end;
-        integer(c_int), intent(in)                           :: E1, E2
-        ! Parameter defining the type of the extended chain (0,1,2)
-        integer(c_int), intent(in)                           :: Ee
-        ! Type of the tubular potential (0 or 1)
-        integer(c_int), intent(in)                           :: TPMType
-
-        call SegmentTubeForceField(U1, U2, U, F1, F2, F, Fe, S1, S2, S, Se, X1, X2, R12, N, X, Xe, BBF, R, E1, E2, Ee, TPMType)
-    endsubroutine
-
-endmodule ExportCNT !*******************************************************************************
diff --git a/lib/mesont/Install.py b/lib/mesont/Install.py
deleted file mode 100644
index 0a0979c2ee..0000000000
--- a/lib/mesont/Install.py
+++ /dev/null
@@ -1,97 +0,0 @@
-#!/usr/bin/env python
-
-"""
-Install.py tool to do a generic build of a library
-soft linked to by many of the lib/Install.py files
-used to automate the steps described in the corresponding lib/README
-"""
-
-from __future__ import print_function
-import sys, os, subprocess
-from argparse import ArgumentParser
-
-sys.path.append('..')
-from install_helpers import get_cpus, fullpath
-
-parser = ArgumentParser(prog='Install.py',
-                        description="LAMMPS library build wrapper script")
-
-HELP = """
-Syntax from src dir: make lib-libname args="-m machine -e suffix"
-Syntax from lib dir: python Install.py -m machine -e suffix
-
-libname = name of lib dir (e.g. atc, h5md, meam, poems, etc)
-specify -m and optionally -e, order does not matter
-
-Examples:
-
-make lib-poems args="-m serial" # build POEMS lib with same settings as in the serial Makefile in src
-make lib-colvars args="-m mpi"  # build COLVARS lib with same settings as in the mpi Makefile in src
-make lib-meam args="-m ifort"   # build MEAM lib with custom Makefile.ifort (using Intel Fortran)
-"""
-
-# parse and process arguments
-
-parser.add_argument("-m", "--machine",
-                    help="suffix of a <libname>/Makefile.* file used for compiling this library")
-parser.add_argument("-e", "--extramake",
-                    help="set EXTRAMAKE variable in <libname>/Makefile.<machine> to Makefile.lammps.<extramake>")
-
-args = parser.parse_args()
-
-# print help message and exit, if neither build nor path options are given
-if not args.machine and not args.extramake:
-  parser.print_help()
-  sys.exit(HELP)
-
-machine = args.machine
-extraflag = args.extramake
-if extraflag:
-    suffix = args.extramake
-else:
-    suffix = 'empty'
-
-# set lib from working dir
-
-cwd = fullpath('.')
-lib = os.path.basename(cwd)
-
-# create Makefile.auto as copy of Makefile.machine
-# reset EXTRAMAKE if requested
-
-if not os.path.exists("Makefile.%s" % machine):
-  sys.exit("lib/%s/Makefile.%s does not exist" % (lib, machine))
-
-lines = open("Makefile.%s" % machine, 'r').readlines()
-fp = open("Makefile.auto", 'w')
-
-has_extramake = False
-for line in lines:
-  words = line.split()
-  if len(words) == 3 and words[0] == "EXTRAMAKE" and words[1] == '=':
-    has_extramake = True
-    if extraflag:
-      line = line.replace(words[2], "Makefile.lammps.%s" % suffix)
-  fp.write(line)
-
-fp.close()
-
-# make the library via Makefile.auto optionally with parallel make
-n_cpus = get_cpus()
-
-print("Building lib%s.a ..." % lib)
-cmd = "make -f Makefile.auto clean; make -f Makefile.auto -j%d" % n_cpus
-try:
-  txt = subprocess.check_output(cmd, shell=True, stderr=subprocess.STDOUT)
-  print(txt.decode('UTF-8'))
-except subprocess.CalledProcessError as e:
-  print("Make failed with:\n %s" % e.output.decode('UTF-8'))
-  sys.exit(1)
-
-if os.path.exists("lib%s.a" % lib):
-  print("Build was successful")
-else:
-  sys.exit("Build of lib/%s/lib%s.a was NOT successful" % (lib, lib))
-
-if has_extramake and not os.path.exists("Makefile.lammps"):
-  print("WARNING: lib/%s/Makefile.lammps was NOT created" % lib)
diff --git a/lib/mesont/LinFun2.f90 b/lib/mesont/LinFun2.f90
deleted file mode 100644
index 2bf1d2872a..0000000000
--- a/lib/mesont/LinFun2.f90
+++ /dev/null
@@ -1,113 +0,0 @@
-! ------------ ----------------------------------------------------------
-!   LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
-!   https://www.lammps.org/ Sandia National Laboratories
-!   LAMMPS development team: developers@lammps.org
-!
-!   Copyright (2003) Sandia Corporation.  Under the terms of Contract
-!   DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains
-!   certain rights in this software.  This software is distributed under
-!   the GNU General Public License.
-!
-!   See the README file in the top-level LAMMPS directory.
-!
-!   Contributing author: Alexey N. Volkov, UA, avolkov1@ua.edu
-!-------------------------------------------------------------------------
-
-module LinFun2 !************************************************************************************
-!
-! Bi-linear functions and their derivatives.
-!
-!---------------------------------------------------------------------------------------------------
-!
-! Intel Fortran
-!
-! Alexey N. Volkov, University of Alabama, avolkov1@ua.edu, Version 09.01, 2017
-!
-!***************************************************************************************************
-use iso_c_binding, only : c_int, c_double, c_char
-implicit none
-
-contains !******************************************************************************************
-
-        real(c_double) function CalcLinFun1_0 ( i, X, N, P, F ) !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
-        integer(c_int), intent(in)                           :: i, N
-        real(c_double), intent(in)                              :: X
-        real(c_double), dimension(0:N-1), intent(in)            :: P
-        real(c_double), dimension(0:N-1), intent(inout)         :: F
-        integer(c_int)                                       :: i1
-        real(c_double)                                          :: A, A0
-        !-------------------------------------------------------------------------------------------
-                i1 = i - 1
-                A0 = ( P(i) - X ) / ( P(i) - P(i1) )
-                A  = 1.0d+00 - A0
-                CalcLinFun1_0 = A0 * F(i1) + A * F(i)
-        end function CalcLinFun1_0 !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
-
-        subroutine CalcLinFun1_1 ( S, Sx1, i, X, N, P, F, Fx ) !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
-        real(c_double), intent(out)                             :: S, Sx1
-        integer(c_int), intent(in)                           :: i, N
-        real(c_double), intent(in)                              :: X
-        real(c_double), dimension(0:N-1), intent(in)            :: P
-        real(c_double), dimension(0:N-1), intent(inout)         :: F, Fx
-        integer(c_int)                                       :: i1
-        real(c_double)                                          :: A, A0
-        !-------------------------------------------------------------------------------------------
-                i1 = i - 1
-                A0 = ( P(i) - X ) / ( P(i) - P(i1) )
-                A  = 1.0d+00 - A0
-                S = A0 * F(i1) + A * F(i)
-                Sx1 = A0 * Fx(i1) + A * Fx(i)
-        end subroutine CalcLinFun1_1 !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
-
-        real(c_double) function CalcLinFun2_0 ( i, j, X, Y, N1, N2, P1, P2, F ) !!
-        integer(c_int), intent(in)                           :: i, j, N1, N2
-        real(c_double), intent(in)                              :: X, Y
-        real(c_double), dimension(0:N1-1), intent(in)           :: P1
-        real(c_double), dimension(0:N2-1), intent(in)           :: P2
-        real(c_double), dimension(0:N1-1,0:N2-1), intent(inout) :: F
-        integer(c_int)                                       :: i1, j1
-        real(c_double)                                          :: A, A0, B, B0, G, G0
-        !-------------------------------------------------------------------------------------------
-                i1 = i - 1
-                j1 = j - 1
-                A0 = ( P1(i) - X ) / ( P1(i) - P1(i1) )
-                A  = 1.0d+00 - A0
-                B0 = ( P2(j) - Y ) / ( P2(j) - P2(j1) )
-                B  = 1.0d+00 - B0
-                G  = B0 * F(i,j1) + B * F(i,j)
-                G0 = B0 * F(i1,j1) + B * F(i1,j)
-                CalcLinFun2_0 = A0 * G0 + A * G
-        end function CalcLinFun2_0 !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
-
-        subroutine CalcLinFun2_1 ( S, Sx1, Sy1, i, j, X, Y, N1, N2, P1, P2, F, Fx, Fy ) !!!!!!!!!!!!
-        real(c_double), intent(out)                             :: S, Sx1, Sy1
-        integer(c_int), intent(in)                           :: i, j, N1, N2
-        real(c_double), intent(in)                              :: X, Y
-        real(c_double), dimension(0:N1-1), intent(in)           :: P1
-        real(c_double), dimension(0:N2-1), intent(in)           :: P2
-        real(c_double), dimension(0:N1-1,0:N2-1), intent(inout) :: F, Fx, Fy
-        integer(c_int)                                       :: i1, j1
-        real(c_double)                                          :: A, A0, B, B0, G, G0
-        !-------------------------------------------------------------------------------------------
-                i1 = i - 1
-                j1 = j - 1
-                A0 = ( P1(i) - X ) / ( P1(i) - P1(i1) )
-                A  = 1.0d+00 - A0
-                B0 = ( P2(j) - Y ) / ( P2(j) - P2(j1) )
-                B  = 1.0d+00 - B0
-
-                G  = B0 * F(i,j1) + B * F(i,j)
-                G0 = B0 * F(i1,j1) + B * F(i1,j)
-                S = A0 * G0 + A * G
-
-                G  = B0 * Fx(i,j1) + B * Fx(i,j)
-                G0 = B0 * Fx(i1,j1) + B * Fx(i1,j)
-                Sx1 = A0 * G0 + A * G
-
-                G  = B0 * Fy(i,j1) + B * Fy(i,j)
-                G0 = B0 * Fy(i1,j1) + B * Fy(i1,j)
-                Sy1 = A0 * G0 + A * G
-
-        end subroutine CalcLinFun2_1 !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
-
-end module LinFun2 !********************************************************************************
diff --git a/lib/mesont/Makefile.gfortran b/lib/mesont/Makefile.gfortran
deleted file mode 100644
index 55d6f59b20..0000000000
--- a/lib/mesont/Makefile.gfortran
+++ /dev/null
@@ -1,46 +0,0 @@
-SHELL = /bin/sh
-
-# which file will be copied to Makefile.lammps
-
-EXTRAMAKE = Makefile.lammps.gfortran
-
-# ------ FILES ------
-
-SRC = LinFun2.f90 Spline1.f90 Spline2.f90 TPMLib.f90 TPMGeom.f90 TubePotBase.f90 TubePotTrue.f90 \
-  TubePotMono.f90 TPMM0.f90 TPMM1.f90 CNTPot.f90 TPMForceField.f90 ExportCNT.f90
-
-FILES = $(SRC) Makefile
-
-# ------ DEFINITIONS ------
-
-LIB = libmesont.a
-OBJ =   $(SRC:.f90=.o)
-
-# ------ SETTINGS ------
-
-F90 =           gfortran
-F90FLAGS =      -O3 -fPIC -ftree-vectorize -g
-ARCHIVE =	ar
-ARCHFLAG =	-rc
-USRLIB =
-SYSLIB =
-
-# ------ MAKE PROCEDURE ------
-
-lib: 	$(OBJ)
-	$(ARCHIVE) $(ARFLAGS) $(LIB) $(OBJ)
-	@cp $(EXTRAMAKE) Makefile.lammps
-
-# ------ COMPILE RULES ------
-
-%.o:%.f90
-	$(F90) $(F90FLAGS) -c $<
-
-include .depend
-# ------ CLEAN ------
-
-clean:
-	-rm *.o *.mod $(LIB)
-
-tar:
-	-tar -cvf ../MESONT.tar $(FILES)
diff --git a/lib/mesont/Makefile.ifort b/lib/mesont/Makefile.ifort
deleted file mode 100644
index 5c9d7aae85..0000000000
--- a/lib/mesont/Makefile.ifort
+++ /dev/null
@@ -1,46 +0,0 @@
-SHELL = /bin/sh
-
-# which file will be copied to Makefile.lammps
-
-EXTRAMAKE = Makefile.lammps.ifort
-
-# ------ FILES ------
-
-SRC = LinFun2.f90 Spline1.f90 Spline2.f90 TPMLib.f90 TPMGeom.f90 TubePotBase.f90 TubePotTrue.f90 \
-  TubePotMono.f90 TPMM0.f90 TPMM1.f90 CNTPot.f90 TPMForceField.f90 ExportCNT.f90
-
-FILES = $(SRC) Makefile 
-
-# ------ DEFINITIONS ------
-
-LIB = libmesont.a
-OBJ =   $(SRC:.f90=.o)
-
-# ------ SETTINGS ------
-
-F90 =           ifort
-F90FLAGS =      -O3 -fPIC -g
-ARCHIVE =	ar
-ARCHFLAG =	-rc
-USRLIB =
-SYSLIB =
-
-# ------ MAKE PROCEDURE ------
-
-lib: 	$(OBJ)
-	$(ARCHIVE) $(ARFLAGS) $(LIB) $(OBJ)
-	@cp $(EXTRAMAKE) Makefile.lammps
-
-# ------ COMPILE RULES ------
-
-%.o:%.f90
-	$(F90) $(F90FLAGS) -c $<
-	
-include .depend
-# ------ CLEAN ------
-
-clean:
-	-rm *.o *.mod $(LIB)
-
-tar:
-	-tar -cvf ../MESONT.tar $(FILES)
diff --git a/lib/mesont/Makefile.lammps.gfortran b/lib/mesont/Makefile.lammps.gfortran
deleted file mode 100644
index 5e0ea2f5d8..0000000000
--- a/lib/mesont/Makefile.lammps.gfortran
+++ /dev/null
@@ -1,5 +0,0 @@
-# Settings that the LAMMPS build will import when this package library is used
-
-mesont_SYSINC =
-mesont_SYSLIB = -lgfortran
-mesont_SYSPATH =
diff --git a/lib/mesont/Makefile.lammps.ifort b/lib/mesont/Makefile.lammps.ifort
deleted file mode 100644
index 228e3d4bd9..0000000000
--- a/lib/mesont/Makefile.lammps.ifort
+++ /dev/null
@@ -1,5 +0,0 @@
-# Settings that the LAMMPS build will import when this package library is used
-
-mesont_SYSINC =
-mesont_SYSLIB =  -lifcore -lsvml -limf -ldl -lstdc++
-mesont_SYSPATH =
diff --git a/lib/mesont/Makefile.serial b/lib/mesont/Makefile.serial
deleted file mode 120000
index c52fbcb986..0000000000
--- a/lib/mesont/Makefile.serial
+++ /dev/null
@@ -1 +0,0 @@
-Makefile.gfortran
\ No newline at end of file
diff --git a/lib/mesont/README b/lib/mesont/README
deleted file mode 100644
index 1884cdb7e9..0000000000
--- a/lib/mesont/README
+++ /dev/null
@@ -1,67 +0,0 @@
-MESONT is a LAMMPS package for simulation of nanomechanics of carbon
-nanotubes (CNTs). The model is based on a coarse-grained representation
-of CNTs as "flexible cylinders" consisting of a variable number of
-segments. Internal interactions within a CNT and the van der Waals
-interaction between the tubes are described by a mesoscopic force
-field designed and parameterized based on the results of atomic-level
-molecular dynamics simulations. The description of the force field
-is provided in the papers listed below.
-
-This folder contains a Fortran library implementing basic level functions
-describing stretching, bending, and intertube components of the CNT tubular
-potential model (TPM) mesoscopic force field.
-
-This library was created by Alexey N. Volkov, University of Alabama,
-avolkov1@ua.edu.
-
---
-
-References:
-
-L. V. Zhigilei, C. Wei, and D. Srivastava, Mesoscopic model for dynamic
-simulations of carbon nanotubes, Phys. Rev. B 71, 165417, 2005.
-
-A. N. Volkov and L. V. Zhigilei, Structural stability of carbon nanotube
-films: The role of bending buckling, ACS Nano 4, 6187-6195, 2010.
-
-A. N. Volkov, K. R. Simov, and L. V. Zhigilei, Mesoscopic model for simulation
-of CNT-based materials, Proceedings of the ASME International Mechanical
-Engineering Congress and Exposition (IMECE2008), ASME paper IMECE2008-68021,
-2008.
-
-A. N. Volkov and L. V. Zhigilei, Mesoscopic interaction potential for carbon
-nanotubes of arbitrary length and orientation, J. Phys. Chem. C 114, 5513-5531,
-2010.
-
-B. K. Wittmaack, A. H. Banna, A. N. Volkov, L. V. Zhigilei, Mesoscopic
-modeling of structural self-organization of carbon nanotubes into vertically
-aligned networks of nanotube bundles, Carbon 130, 69-86, 2018.
-
-B. K. Wittmaack, A. N. Volkov, L. V. Zhigilei, Mesoscopic modeling of the
-uniaxial compression and recovery of vertically aligned carbon nanotube
-forests, Compos. Sci. Technol. 166, 66-85, 2018.
-
-B. K. Wittmaack, A. N. Volkov, L. V. Zhigilei, Phase transformation as the
-mechanism of mechanical deformation of vertically aligned carbon nanotube
-arrays: Insights from mesoscopic modeling, Carbon 143, 587-597, 2019.
-
-A. N. Volkov and L. V. Zhigilei, Scaling laws and mesoscopic modeling of
-thermal conductivity in carbon nanotube materials, Phys. Rev. Lett. 104,
-215902, 2010.
-
-A. N. Volkov, T. Shiga, D. Nicholson, J. Shiomi, and L. V. Zhigilei, Effect
-of bending buckling of carbon nanotubes on thermal conductivity of carbon
-nanotube materials, J. Appl. Phys. 111, 053501, 2012.
-
-A. N. Volkov and L. V. Zhigilei, Heat conduction in carbon nanotube materials:
-Strong effect of intrinsic thermal conductivity of carbon nanotubes, Appl.
-Phys. Lett. 101, 043113, 2012.
-
-W. M. Jacobs, D. A. Nicholson, H. Zemer, A. N. Volkov, and L. V. Zhigilei,
-Acoustic energy dissipation and thermalization in carbon nanotubes: Atomistic
-modeling and mesoscopic description, Phys. Rev. B 86, 165414, 2012.
-
-A. N. Volkov and A. H. Banna, Mesoscopic computational model of covalent
-cross-links and mechanisms of load transfer in cross-linked carbon nanotube
-films with continuous networks of bundles, Comp. Mater. Sci. 176, 109410, 2020.
-
diff --git a/lib/mesont/Spline1.f90 b/lib/mesont/Spline1.f90
deleted file mode 100644
index 77731383b6..0000000000
--- a/lib/mesont/Spline1.f90
+++ /dev/null
@@ -1,191 +0,0 @@
-! ------------ ----------------------------------------------------------
-!   LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
-!   https://www.lammps.org/ Sandia National Laboratories
-!   LAMMPS development team: developers@lammps.org
-!
-!   Copyright (2003) Sandia Corporation.  Under the terms of Contract
-!   DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains
-!   certain rights in this software.  This software is distributed under
-!   the GNU General Public License.
-!
-!   See the README file in the top-level LAMMPS directory.
-!
-!   Contributing author: Alexey N. Volkov, UA, avolkov1@ua.edu
-!-------------------------------------------------------------------------
-
-module Spline1 !************************************************************************************
-!
-! One-dimensional cubic spline function.
-!
-!---------------------------------------------------------------------------------------------------
-!
-! Intel Fortran
-!
-! Alexey N. Volkov, University of Alabama, avolkov1@ua.edu, Version 09.01, 2017
-!
-!***************************************************************************************************
-use iso_c_binding, only : c_int, c_double, c_char
-implicit none
-
-contains !******************************************************************************************
-
-        real(c_double) function ValueSpline1_0 ( X, Xi, Xi_1, Yi, Yi_1, Mi, Mi_1, Hi_1 ) !!!!!!!!!!!!
-        real(c_double), intent(in)      :: X, Xi, Xi_1, Yi, Yi_1, Mi, Mi_1, Hi_1
-        real(c_double)                  :: H26, HL, HR
-        !-------------------------------------------------------------------------------------------
-                H26     = Hi_1 * Hi_1 / 6.0
-                Hl      = X - Xi_1
-                Hr      = Xi - X
-                ValueSpline1_0 = ( ( Mi_1 * Hr * Hr * Hr + Mi * Hl * Hl * Hl ) / 6.0 + ( Yi_1 - Mi_1 * H26 ) * Hr &
-                        + ( Yi - Mi * H26 ) * Hl ) / Hi_1
-        end function ValueSpline1_0 !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
-
-        subroutine ValueSpline1_1 ( S, S1, X, Xi, Xi_1, Yi, Yi_1, Mi, Mi_1, Hi_1 ) !!!!!!!!!!!!!!!!!
-        real(c_double), intent(out)     :: S, S1
-        real(c_double), intent(in)      :: X, Xi, Xi_1, Yi, Yi_1, Mi, Mi_1, Hi_1
-        real(c_double)                  :: H6, H26, HL, HR, HL2, HR2
-        !-------------------------------------------------------------------------------------------
-                H6  = Hi_1 / 6.0d+00
-                H26 = Hi_1 * H6
-                HL  = X - Xi_1
-                HR  = Xi - X
-                HL2 = HL * HL
-                HR2 = HR * HR
-                S   = ( ( Mi_1 * HR2 * Hr + Mi * HL2 * Hl ) / 6.0 + ( Yi_1 - Mi_1 * H26 ) * HR + ( Yi - Mi * H26 ) * HL ) / Hi_1
-                S1  = ( ( Mi * HL2 - Mi_1 * HR2 ) / 2.0d+00 + Yi - Yi_1 ) / Hi_1 - H6 * ( Mi - Mi_1 )
-        end subroutine ValueSpline1_1 !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
-
-        subroutine sprogonka3 ( N, K0, K1, K2, F, X ) !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
-        integer(c_int), intent(in)                   :: N
-        real(c_double), dimension(0:N-1), intent(in)    :: K0, K1, K2
-        real(c_double), dimension(0:N-1), intent(inout) :: F, X
-        real(c_double)                                  :: D
-        integer(c_int)                               :: i
-        !-------------------------------------------------------------------------------------------
-                X(0) = F(0) / K1(0)
-                F(0) = - K2(0) / K1(0)
-                do i = 1, N - 1
-                        D    = - ( K1(i) + F(i-1) * K0(i) )
-                        X(i) = ( K0(i) * X(i-1) - F(i) ) / D
-                        F(i) = K2(i) / D
-                end do
-                do i = N - 2, 0, -1
-                        X(i) = X(i) + F(i) * X(i+1)
-                end do
-        end subroutine sprogonka3 !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
-
-        subroutine CreateSpline1 ( CL, CR, N, P, F, M, D, K0, K1, K2 ) !!!!!!!!!!!!!!!!!!!!!!!!!!!!!
-        integer(c_int), intent(in)                   :: CL, CR, N
-        real(c_double), dimension (0:N-1), intent(in)   :: P, F
-        real(c_double), dimension (0:N-1), intent(inout):: M, D, K0, K1, K2
-        integer(c_int)                               :: i
-        real(c_double)                                  :: Z
-        !-------------------------------------------------------------------------------------------
-                do i = 1, N - 1
-                        K0(i) = P(i) - P(i-1)
-                        K1(i) = ( F(i) - F(i-1) ) / K0(i)
-                end do
-                select case ( CL )
-                        case (1)
-                                K1(0) = 2.0d+00 / 3.0d+00
-                                K2(0) = 1.0d+00 / 3.0d+00
-                                D (0) = 2 * ( K1(1) - M(0) ) / K0(1)
-                        case (2)
-                                K1(0) = 1.0d+00
-                                K2(0) = 0.0d+00
-                                D(0)  = M(0)
-                        case (3)
-                                K1(0) = 1.0d+00
-                                K2(0) = 0.0d+00
-                                D(0)  = 0.0d+00
-                end select
-                Z = K1(N-1)
-                do i = 1, N - 2
-                        D(i)  = 6.0d+00 * ( K1(i+1) - K1(i) )
-                        K2(i) = K0(i+1)
-                        K1(i) = 2.0d+00 * ( K2(i) + K0(i) )
-                end do
-                select case ( CR )
-                        case (1)
-                                D(N-1)  = 2.0d+00 * ( M(N-1) - Z ) / K0(N-1)
-                                K1(N-1) = 2.0d+00 / 3.0d+00
-                                K0(N-1) = 1.0d+00 / 3.0d+00
-                        case (2)
-                                K1(N-1) = 1.0d+00
-                                K0(N-1) = 0.0d+00
-                                D(N-1)  = M(N-1)
-                        case (3)
-                                K1(N-1) = 1.0d+00
-                                K0(N-1) = 0.0d+00
-                                D(N-1)  = 0.0d+00
-                end select
-                call sprogonka3 ( N, K0, K1, K2, D, M )
-        end subroutine CreateSpline1 !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
-
-        real(c_double) function CalcSpline1_0 ( i, X, N, P, F, M ) !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
-        integer(c_int), intent(in)                   :: i, N
-        real(c_double), intent(in)                      :: X
-        real(c_double), dimension(0:N-1), intent(in)    :: P, F, M
-        integer(c_int)                               :: j
-        real(c_double)                                  :: HL, HR, H, H6, H26, HR2, HL2, HRH, HLH
-        !-------------------------------------------------------------------------------------------
-                j   = i - 1
-                HL  = X - P(j)
-                HR  = P(i) - X
-                H   = P(i) - P(j)
-                H6  = H / 6.0d+00
-                H26 = H * H6
-                HL2 = HL * HL
-                HR2 = HR * HR
-                HLH = HL / H
-                HRH = HR / H
-                CalcSpline1_0 = ( M(j) * HR2 * HRH + M(i) * HL2 * HLH ) / 6.0d+00 + ( F(j) - M(j) * H26 ) * HRH &
-                        + ( F(i) - M(i) * H26 ) * HLH
-        end function CalcSpline1_0 !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
-
-        subroutine CalcSpline1_1 ( S, S1, i, X, N, P, F, M ) !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
-        real(c_double), intent(out)                     :: S, S1
-        integer(c_int), intent(in)                   :: i, N
-        real(c_double), intent(in)                      :: X
-        real(c_double), dimension(0:N-1), intent(in)    :: P, F, M
-        integer(c_int)                               :: j
-        real(c_double)                                  :: HL, HR, H, H6, H26, HR2, HL2, HRH, HLH
-        !-------------------------------------------------------------------------------------------
-                j   = i - 1
-                HL  = X - P(j)
-                HR  = P(i) - X
-                H   = P(i) - P(j)
-                H6  = H / 6.0d+00
-                H26 = H * H6
-                HL2 = HL * HL
-                HR2 = HR * HR
-                HLH = HL / H
-                HRH = HR / H
-                S  = ( M(j) * HR2 * HRH + M(i) * HL2 * HLH ) / 6.0d+00 + ( F(j) - M(j) * H26 ) * HRH + ( F(i) - M(i) * H26 ) * HLH
-                S1 = ( ( M(i) * HL2 - M(j) * HR2 ) / 2.0d+00 + F(i) - F(j) ) / H - H6 * ( M(i) - M(j) )
-        end subroutine CalcSpline1_1 !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
-
-        subroutine CalcSpline1_2 ( S, S1, S2, i, X, N, P, F, M ) !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
-        real(c_double), intent(out)                     :: S, S1, S2
-        integer(c_int), intent(in)                   :: i, N
-        real(c_double), intent(in)                      :: X
-        real(c_double), dimension(0:N-1), intent(in)    :: P, F, M
-        integer(c_int)                               :: j
-        real(c_double)                                  :: HL, HR, H, H6, H26, HR2, HL2, HRH, HLH
-        !-------------------------------------------------------------------------------------------
-                j   = i - 1
-                HL  = X - P(j)
-                HR  = P(i) - X
-                H   = P(i) - P(j)
-                H6  = H / 6.0d+00
-                H26 = H * H6
-                HL2 = HL * HL
-                HR2 = HR * HR
-                HLH = HL / H
-                HRH = HR / H
-                S  = ( M(j) * HR2 * HRH + M(i) * HL2 * HLH ) / 6.0d+00 + ( F(j) - M(j) * H26 ) * HRH + ( F(i) - M(i) * H26 ) * HLH
-                S1 = ( ( M(i) * HL2 - M(j) * HR2 ) / 2.0d+00 + F(i) - F(j) ) / H - H6 * ( M(i) - M(j) )
-                S2 = M(j) * HRH + M(i) * HLH
-        end subroutine CalcSpline1_2 !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
-
-end module Spline1 !********************************************************************************
diff --git a/lib/mesont/Spline2.f90 b/lib/mesont/Spline2.f90
deleted file mode 100644
index 12ed56ab1e..0000000000
--- a/lib/mesont/Spline2.f90
+++ /dev/null
@@ -1,186 +0,0 @@
-! ------------ ----------------------------------------------------------
-!   LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
-!   https://www.lammps.org/ Sandia National Laboratories
-!   LAMMPS development team: developers@lammps.org
-!
-!   Copyright (2003) Sandia Corporation.  Under the terms of Contract
-!   DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains
-!   certain rights in this software.  This software is distributed under
-!   the GNU General Public License.
-!
-!   See the README file in the top-level LAMMPS directory.
-!
-!   Contributing author: Alexey N. Volkov, UA, avolkov1@ua.edu
-!-------------------------------------------------------------------------
-
-module Spline2 !************************************************************************************
-!
-! Two-dimensional cubic spline function.
-!
-!---------------------------------------------------------------------------------------------------
-!
-! Intel Fortran
-!
-! Alexey N. Volkov, University of Alabama, avolkov1@ua.edu, Version 09.01, 2017
-!
-!***************************************************************************************************
-
-use Spline1
-use iso_c_binding, only : c_int, c_double, c_char
-implicit none
-
-contains !******************************************************************************************
-
-        subroutine CreateSpline2 ( CL, CD, CR, CU, N1, N2, N, P1, P2, F, Fxx, Fyy, Fxxyy, FF, MM, DD, K0, K1, K2 )
-        integer(c_int), intent(in)                              :: CL, CD, CR, CU, N1, N2, N
-        real(c_double), dimension(0:N1-1), intent(in)           :: P1
-        real(c_double), dimension(0:N2-1), intent(in)           :: P2
-        real(c_double), dimension(0:N1-1,0:N2-1), intent(inout) :: F, Fxx, Fyy, Fxxyy
-        real(c_double), dimension(0:N-1), intent(inout)         :: FF, MM, DD, K0, K1, K2
-        integer(c_int)                                          :: II
-        !-------------------------------------------------------------------------------------------
-                do II = 0, N2 - 1
-                        FF(0:N1-1) = F(0:N1-1,II)
-                        MM(0)    = Fxx(0,II)
-                        MM(N1-1) = Fxx(N1-1,II)
-                        call CreateSpline1 ( CL, CR, N1, P1, FF, MM, DD, K0, K1, K2 )
-                        Fxx(0:N1-1,II) = MM(0:N1-1)
-                end do
-                do II = 0, N1 - 1
-                        MM(0) = Fyy(II,0)
-                        MM(N-1) = Fyy(II,N2-1)
-                        FF(0:N2-1) = F(II,0:N2-1)
-                        call CreateSpline1 ( CD, CU, N2, P2, FF, MM, DD, K0, K1, K2 )
-                        Fyy(II,0:N2-1) = MM(0:N2-1)
-                end do
-                FF(0:N1-1) = Fyy(0:N1-1,0 )
-                call CreateSpline1 ( 3, 3, N1, P1, FF, MM, DD, K0, K1, K2 )
-                Fxxyy(0:N1-1,0) = MM(0:N1-1)
-                FF(0:N1-1) = Fyy(0:N1-1,N2-1 )
-                call CreateSpline1 ( 3, 3, N1, P1, FF, MM, DD, K0, K1, k2 )
-                Fxxyy(0:N1-1,N2-1) = MM(0:N1-1)
-                do II = 1, N1 - 2
-                        MM(0) = Fxxyy(II,0)
-                        MM(N-1) = Fxxyy(II,N2-1)
-                        FF(0:N2-1) = Fxx(II,0:N2-1)
-                        call CreateSpline1 ( 2 , 2, N2, P2, FF, MM, DD, K0, K1, K2 )
-                        Fxxyy(II,0:N2-1) = MM(0:N2-1)
-                end do
-        end subroutine CreateSpline2 !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
-
-        subroutine CreateSpline2Ext ( CL, CD, CR, CU, N1, N1A, N2, N2A, N, P1, P2, F, Fxx, Fyy, Fxxyy, FF, MM, DD, K0, K1, K2 )
-        integer(c_int), intent(in)                              :: CL, CD, CR, CU, N1, N1A, N2, N2A, N
-        real(c_double), dimension(0:N1-1), intent(in)           :: P1
-        real(c_double), dimension(0:N2-1), intent(in)           :: P2
-        real(c_double), dimension(0:N1-1,0:N2-1), intent(inout) :: F, Fxx, Fyy, Fxxyy
-        real(c_double), dimension(0:N-1), intent(inout)         :: FF, MM, DD, K0, K1, K2
-        integer(c_int)                                          :: II
-        !-------------------------------------------------------------------------------------------
-                Fxx = 0.0d+00
-                Fyy = 0.0d+00
-                Fxxyy = 0.0d+00
-
-                do II = 0, N2A
-                        FF(0:N1-1) = F(0:N1-1,II)
-                        MM(0)    = Fxx(0,II)
-                        MM(N1-1) = Fxx(N1-1,II)
-                        call CreateSpline1 ( CL, CR, N1, P1, FF, MM, DD, K0, K1, K2 )
-                        Fxx(0:N1-1,II) = MM(0:N1-1)
-                end do
-
-                do II = N2A + 1, N2 - 1
-                        FF(0:N1-N1A-1) = F(N1A:N1-1,II)
-                        MM(0) = Fxx(N1A,II)
-                        MM(N1-N1A-1) = Fxx(N1-1,II)
-                        call CreateSpline1 ( CL, CR, N1 - N1A, P1, FF, MM, DD, K0, K1, K2 )
-                        Fxx(N1A:N1-1,II) = MM(0:N1-N1A-1)
-                end do
-
-                do II = 0, N1A - 1
-                        MM(0) = Fyy(II,0)
-                        MM(N2A) = Fyy(II,N2A)
-                        FF(0:N2A) = F(II,0:N2A)
-                        call CreateSpline1 ( CD, CU, N2A + 1, P2, FF, MM, DD, K0, K1, K2 )
-                        Fyy(II,0:N2A) = MM(0:N2A)
-                end do
-
-                do II = N1A, N1 - 1
-                        MM(0) = Fyy(II,0)
-                        MM(N-1) = Fyy(II,N2-1)
-                        FF(0:N2-1) = F(II,0:N2-1)
-                        call CreateSpline1 ( CD, CU, N2, P2, FF, MM, DD, K0, K1, K2 )
-                        Fyy(II,0:N2-1) = MM(0:N2-1)
-                end do
-
-                FF(0:N1-1) = Fyy(0:N1-1,0)
-                call CreateSpline1 ( 3, 3, N1, P1, FF, MM, DD, K0, K1, K2 )
-                Fxxyy(0:N1-1,0) = MM(0:N1-1)
-
-                FF(0:N1A) = Fyy(0:N1A,N2A)
-                call CreateSpline1 ( 3, 3, N1A + 1, P1, FF, MM, DD, K0, K1, K2 )
-                Fxxyy(0:N1A,N2A) = MM(0:N1A)
-
-                FF(0:N1-N1A-1) = Fyy(N1A:N1-1,N2-1 )
-                call CreateSpline1 ( 3, 3, N1-N1A, P1, FF, MM, DD, K0, K1, K2 )
-                Fxxyy(N1A:N1-1,N2-1) = MM(0:N1-N1A-1)
-
-                do II = 1, N1A
-                        MM(0) = Fxxyy(II,0)
-                        MM(N2A) = Fxxyy(II,N2A)
-                        FF(0:N2A) = Fxx(II,0:N2A)
-                        call CreateSpline1 ( 2 , 2, N2A + 1, P2, FF, MM, DD, K0, K1, K2 )
-                        Fxxyy(II,0:N2A) = MM(0:N2A)
-                end do
-
-                do II = N1A + 1, N1 - 2
-                        MM(0) = Fxxyy(II,0)
-                        MM(N-1) = Fxxyy(II,N2-1)
-                        FF(0:N2-1) = Fxx(II,0:N2-1)
-                        call CreateSpline1 ( 2 , 2, N2, P2, FF, MM, DD, K0, K1, K2 )
-                        Fxxyy(II,0:N2-1) = MM(0:N2-1)
-                end do
-
-        end subroutine CreateSpline2Ext !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
-
-        real(c_double) function CalcSpline2_0 ( i, j, X, Y, N1, N2, P1, P2, F, Fxx, Fyy, Fxxyy ) !!!
-        integer(c_int), intent(in)                              :: i, j, N1, N2
-        real(c_double), intent(in)                              :: X, Y
-        real(c_double), dimension(0:N1-1), intent(in)           :: P1
-        real(c_double), dimension(0:N2-1), intent(in)           :: P2
-        real(c_double), dimension(0:N1-1,0:N2-1), intent(inout) :: F, Fxx, Fyy, Fxxyy
-        integer(c_int)                                          :: i1, j1
-        real(c_double)                                          :: T, Gy_0, Gy_1, Gxxy_0, Gxxy_1
-        !-------------------------------------------------------------------------------------------
-                i1 = i - 1
-                j1 = j - 1
-                T  = P2(j) - P2(j1)
-                Gy_0    = ValueSpline1_0 ( Y, P2(j), P2(j1), F(i,j),    F(i,j1),    Fyy(i,j),    Fyy(i,j1),    T )
-                Gy_1    = ValueSpline1_0 ( Y, P2(j), P2(j1), F(i1,j),   F(i1,j1),   Fyy(i1,j),   Fyy(i1,j1),   T )
-                Gxxy_0  = ValueSpline1_0 ( Y, P2(j), P2(j1), Fxx(i,j),  Fxx(i,j1),  Fxxyy(i,j),  Fxxyy(i,j1),  T )
-                Gxxy_1  = ValueSpline1_0 ( Y, P2(j), P2(j1), Fxx(i1,j), Fxx(i1,j1), Fxxyy(i1,j), Fxxyy(i1,j1), T )
-                CalcSpline2_0 = ValueSpline1_0 ( X, P1(i), P1(i1), Gy_0, Gy_1,Gxxy_0, Gxxy_1, P1(i) - P1(i1) )
-        end function CalcSpline2_0 !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
-
-        subroutine CalcSpline2_1 ( S, Sx1, Sy1, i, j, X, Y, N1, N2, P1, P2, F, Fxx, Fyy, Fxxyy ) !!!
-        real(c_double), intent(out)                             :: S, Sx1, Sy1
-        integer(c_int), intent(in)                              :: i, j, N1, N2
-        real(c_double), intent(in)                              :: X, Y
-        real(c_double), dimension(0:N1-1), intent(in)           :: P1
-        real(c_double), dimension(0:N2-1), intent(in)           :: P2
-        real(c_double), dimension(0:N1-1,0:N2-1), intent(inout) :: F, Fxx, Fyy, Fxxyy
-        integer(c_int)                                          :: i1, j1
-        real(c_double)                                          :: T, Gy_0, Gy_1, Gxxy_0, Gxxy_1
-        real(c_double)                                          :: Gyy_0, Gyy_1, Gxxyy_0, Gxxyy_1
-        !-------------------------------------------------------------------------------------------
-                i1 = i - 1
-                j1 = j - 1
-                T  = P2(j) - P2(j1)
-                call ValueSpline1_1 ( Gy_0, Gyy_0, Y, P2(j), P2(j1), F(i,j),    F(i,j1),    Fyy(i,j),    Fyy(i,j1),    T )
-                call ValueSpline1_1 ( Gy_1, Gyy_1, Y, P2(j), P2(j1), F(i1,j),   F(i1,j1),   Fyy(i1,j),   Fyy(i1,j1),   T )
-                call ValueSpline1_1 ( Gxxy_0, Gxxyy_0, Y, P2(j), P2(j1), Fxx(i,j),  Fxx(i,j1),  Fxxyy(i,j),  Fxxyy(i,j1),  T )
-                call ValueSpline1_1 ( Gxxy_1, Gxxyy_1, Y, P2(j), P2(j1), Fxx(i1,j), Fxx(i1,j1), Fxxyy(i1,j), Fxxyy(i1,j1), T )
-                call ValueSpline1_1 ( S, Sx1, X, P1(i), P1(i1), Gy_0, Gy_1,Gxxy_0, Gxxy_1, P1(i) - P1(i1) )
-                Sy1 = ValueSpline1_0 ( X, P1(i), P1(i1), Gyy_0, Gyy_1,Gxxyy_0, Gxxyy_1, P1(i) - P1(i1) )
-        end subroutine CalcSpline2_1 !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
-
-end module Spline2 !********************************************************************************
diff --git a/lib/mesont/TPMForceField.f90 b/lib/mesont/TPMForceField.f90
deleted file mode 100644
index cc797b3440..0000000000
--- a/lib/mesont/TPMForceField.f90
+++ /dev/null
@@ -1,316 +0,0 @@
-! ------------ ----------------------------------------------------------
-!   LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
-!   https://www.lammps.org/ Sandia National Laboratories
-!   LAMMPS development team: developers@lammps.org
-!
-!   Copyright (2003) Sandia Corporation.  Under the terms of Contract
-!   DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains
-!   certain rights in this software.  This software is distributed under
-!   the GNU General Public License.
-!
-!   See the README file in the top-level LAMMPS directory.
-!
-!   Contributing author: Alexey N. Volkov, UA, avolkov1@ua.edu
-!-------------------------------------------------------------------------
-
-module TPMForceField !******************************************************************************
-!
-! Calculation of the TMD force field
-!
-!---------------------------------------------------------------------------------------------------
-!
-! PGI Fortran, Intel Fortran
-!
-! Alexey N. Volkov, University of Alabama, avolkov1@ua.edu, version 09.01, 2020
-!
-!***************************************************************************************************
-
-use CNTPot
-use TPMM0
-use TPMM1
-use iso_c_binding, only : c_int, c_double, c_char
-implicit none
-
-contains !******************************************************************************************
-
-        subroutine TubeStretchingForceField ( U1, U2, F1, F2, S1, S2, X1, X2, R12, L12 ) !!!!!!!!!!!
-        ! Interaction energies associated with nodes X1 and X2
-        real(c_double), intent(inout)                           :: U1, U2
-        ! Forces exerted on nodes X1 and X2
-        real(c_double), intent(inout), dimension(0:2)           :: F1, F2
-        ! Contributions of nodes X1 and X2 to the virial stress tensor
-        real(c_double), intent(inout), dimension(0:2,0:2)       :: S1, S2
-        ! Coordinates of the segment nodes
-        real(c_double), intent(in), dimension(0:2)              :: X1, X2
-        ! Radius of a nanotube the segment (X1,X2) belongs to
-        real(c_double), intent(in)                              :: R12
-        ! Equilibrium length of segment (X1,X2)
-        real(c_double), intent(in)                              :: L12
-        !-------------------------------------------------------------------------------------------
-        integer(c_int)                                       :: ii, jj, Event
-        real(c_double)                                          :: U, F, LL, S, Ubcl
-        real(c_double), dimension(0:2)                          :: DX, FF
-        !-------------------------------------------------------------------------------------------
-                DX = X2 - X1
-                LL = S_V3norm3 ( DX )
-                Event = CNTSTRCalc ( U, F, LL, R12, L12, 0, Ubcl )
-
-                U = U / 2.0d+00
-                FF = DX * F / LL
-
-                F1 = F1 + FF
-                U1 = U1 + U
-
-                F2 = F2 - FF
-                U2 = U2 + U
-
-                ! Stress
-                do ii = 0, 2
-                        do jj = 0, 2
-                                S = - 0.5d+00 * DX(ii) * FF(jj)
-                                S1(ii,jj) = S1(ii,jj) + S
-                                S2(ii,jj) = S2(ii,jj) + S
-                        end do
-                end do
-        end subroutine TubeStretchingForceField !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
-
-        subroutine TubeBendingForceField ( U1, U2, U3, F1, F2, F3, S1, S2, S3, X1, X2, X3, R123, L123, BBF2 )
-        ! Interaction energies associated with nodes X1, X2, and X3
-        real(c_double), intent(inout)                           :: U1, U2, U3
-        ! Forces exerted on nodes X1, X2, and X3
-        real(c_double), intent(inout), dimension(0:2)           :: F1, F2, F3
-        ! Contributions of nodes X1, X2, and X3 to the virial stress tensor
-        real(c_double), intent(inout), dimension(0:2,0:2)       :: S1, S2, S3
-        ! Coordinates of nodes
-        real(c_double), intent(in), dimension(0:2)              :: X1, X2, X3
-        ! Radius of nanotube the segment (X1,X2) belongs to
-        real(c_double), intent(in)                              :: R123
-        ! Equilibrium length of segment (X1,X2) and (X2,X3) (It is assumed to be the same for both segments)
-        real(c_double), intent(in)                              :: L123
-        integer(c_int), intent(inout)                           :: BBF2
-        !-------------------------------------------------------------------------------------------
-        integer(c_int)                                          :: ii, jj, Event
-        real(c_double)                                          :: U, F, K, S, Ubcl
-        real(c_double), dimension(0:2)                          :: G0, G1, G2
-        !-------------------------------------------------------------------------------------------
-                call BendingGradients ( K, G0, G1, G2, X1, X2, X3 )
-                Event = CNTBNDCalc ( U, F, K, R123, L123, BBF2, Ubcl )
-
-                if ( Event == CNTPOT_BBUCKLING ) then
-                        BBF2 = 1
-                else
-                        BBF2 = 0
-                end if
-
-                U = U / 4.0d+00
-                F = - F
-
-                F1 = F1 + G0 * F
-                F2 = F2 + G1 * F
-                F3 = F3 + G2 * F
-
-                U1 = U1 + U
-                U2 = U2 + 2.0d+00 * U
-                U3 = U3 + U
-
-                ! Stress
-                do ii = 0, 2
-                        do jj = 0, 2
-                                S = 0.5d+00 * ( X1(ii) - X2(ii) ) * G0(jj)
-                                S1(ii,jj) = S1(ii,jj) + S
-                                S2(ii,jj) = S2(ii,jj) + S
-                                S = 0.5d+00 * ( X3(ii) - X2(ii) ) * G2(jj)
-                                S3(ii,jj) = S3(ii,jj) + S
-                                S2(ii,jj) = S2(ii,jj) + S
-                        end do
-                end do
-        end subroutine TubeBendingForceField !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
-
-        ! The purpose of subroutine SegmentTubeForceField is to calculate interaction forces
-        ! (as well potential energies and components of the virial stress tensor) between a segment
-        ! (X1,X2) and a sequence of segments which belongs to a single CNT.
-
-        ! It is assumed that X contains ALL nodes of a single CNT that are included into the
-        ! neighbor list of segment (X1,X2).
-
-        ! The nodes in X are assumed to be ordered according to their physical appearance in the nanotube.
-        ! It means that (X(i),X(i+1)) are either correspond to a real segment or divided by segments
-        ! that do not belong to a nanotube.
-
-        ! Concept of the extended chain:
-        ! Let's consider a sequence of nodes (X1,X2,...,XN) forming continuous part of a nanotube.
-        ! If node Xe precedes X1 and Xe is the nanotube end, then the extended chain is (Xe,X1,...,XN) and Ee = 1.
-        ! If node Xe follows XN and Xe is the nanotube end, then the extended chain is (X1,...,XN,Xe) and Ee = 2.
-        ! In all other cases, the extended chain coincides with (X1,...,XN) and Ee = 0.
-        ! If the extended chain contains additional node, then non-zero force is exerted on this node.
-
-        subroutine SegmentTubeForceField ( U1, U2, U, F1, F2, F, Fe, S1, S2, S, Se, X1, X2, R12, N, X, Xe,&
-          BBF, R, E1, E2, Ee, TPMType )
-        ! Number of nodes in array X
-        integer(c_int), intent(in)                              :: N
-        ! Interaction energies associated with nodes X1 and X2
-        real(c_double), intent(inout)                           :: U1, U2
-        ! Interaction energies associated with nodes X
-        real(c_double), intent(inout), dimension(0:N-1)         :: U
-        ! Forces exerted on nodes X1 and X2
-        real(c_double), intent(inout), dimension(0:2)           :: F1, F2
-        ! Forces exerted on nodes X
-        real(c_double), intent(inout), dimension(0:2,0:N-1)     :: F
-        ! Force exerted on node Xe (can be updated only if Ee > 0)
-        real(c_double), intent(inout), dimension(0:2)           :: Fe
-        ! Contributions of nodes X1 and X2 to the virial stress tensor
-        real(c_double), intent(inout), dimension(0:2,0:2)       :: S1, S2
-        ! Contributions of nodes X to the virial stress tensor
-        real(c_double), intent(inout), dimension(0:2,0:2,0:N-1) :: S
-        ! Contributions of node Xe to the virial stress tensor (can be updated only if Ee > 0)
-        real(c_double), intent(inout), dimension(0:2,0:2)       :: Se
-        ! Coordinates of the segment nodes
-        real(c_double), intent(in), dimension(0:2)              :: X1, X2
-        ! Radius of a nanotube the segment (X1,X2) belongs to
-        real(c_double), intent(in)                              :: R12
-        ! Coordinates of the nanotube nodes
-        real(c_double), intent(in), dimension(0:2,0:N-1)        :: X
-        ! Additional node of the extended chain if Ee > 0
-        real(c_double), intent(in), dimension(0:2)              :: Xe
-        ! Bending buckling flags (BBF(i) = 1 in a case of buckling in node i)
-        integer(c_int), intent(in), dimension(0:N-1)            :: BBF
-        ! Radius of nanotube X
-        real(c_double), intent(in)                              :: R
-        ! E1 = 1 if the chain node 0 is a CNT end; E1 = 2 if the chain node N-1 is a CNT end
-        integer(c_int), intent(in)                              :: E1, E2
-        ! Parameter defining the type of the extended chain (0,1,2)
-        integer(c_int), intent(in)                              :: Ee
-        ! Type of the tubular potential (0 or 1)
-        integer(c_int), intent(in)                              :: TPMType
-        !-------------------------------------------------------------------------------------------
-        integer(c_int)                                          :: k, ii, jj, IntSign
-        integer(c_int)                                          :: BType, EType, LocalTPMType
-        real(c_double), dimension(0:2,0:N-1)                    :: G1, G2
-        real(c_double), dimension(0:N-1)                        :: QQ
-        logical                                                 :: EType1, EType2
-        real(c_double), dimension(0:2)                          :: G, DG, DQ, XX
-        real(c_double)                                          :: UT, DR, DS, DS1
-        ! Interaction energies associated with nodes X1 and X2
-        real(c_double)                                          :: xU1, xU2
-        ! Interaction energies associated with nodes X
-        real(c_double), dimension(0:N-1)                        :: xU
-        ! Forces exerted on nodes X1 and X2
-        real(c_double), dimension(0:2)                          :: xF1, xF2
-        ! Forces exerted on nodes X
-        real(c_double), dimension(0:2,0:N-1)                    :: xF
-        ! Force exerted on node Xe (can be updated only if Ee > 0)
-        real(c_double), dimension(0:2)                          :: xFe
-        !-------------------------------------------------------------------------------------------
-
-                ! Looking for a buckling point
-                BType = 0
-                do k = 0, N - 1
-                        if ( BBF(k) == 1 ) then
-                                BType = 1
-                                exit
-                        end if
-                end do
-
-                ! Choosing the LocalTPMType and Etype.
-                ! LocalTPMType is set to 0 if both ends of the chain are nanotube ends or the chain contains a buckling point.
-                ! Overwise, LocalTPMType = TPMType.
-                if ( BType == 1 ) then
-                        LocalTPMType = 0
-                        EType = 0
-                else
-                        if ( E1 == 1 ) then ! The first node in the chain is the tube end
-                                EType1 = .true.
-                        else
-                                EType1 = .false.
-                        end if
-                        if ( E2 == 1 ) then ! The last node in the chain is the tube end
-                                EType2 = .true.
-                        else
-                                EType2 = .false.
-                        end if
-                        if ( EType1 .and. EType2 ) then
-                                LocalTPMType = 0
-                        else
-                                LocalTPMType = TPMType
-                                if ( EType1 ) then
-                                        EType = 1
-                                else if ( EType2 ) then
-                                        EType = 2
-                                else ! No tube ends in the chain
-                                        EType = 0
-                                end if
-                        end if
-                end if
-
-                if ( LocalTPMType == 0 ) then
-                        IntSign = TPMInteractionFW0 ( QQ, UT, xU1, xU2, xU, xF1, xF2, xF, G1, G2, X1, X2, N, N, X )
-                else
-                        if ( EType == 0 ) then
-                                if ( Ee == 1 ) then ! The first node in the extended chain is the tube end
-                                        EType = 3
-                                else if ( Ee == 2 ) then ! The last node in the extended chain is the tube end
-                                        EType = 4
-                                end if
-                        end if
-                        IntSign = TPMInteractionFW1 ( QQ, UT, xU1, xU2, xU, xF1, xF2, xF, xFe, G1, G2, X1, X2, N, N, X, Xe, EType )
-                end if
-                if ( IntSign == 0 ) return ! No interaction
-
-                ! Final potential energies
-                U1 = U1 + 0.5d+00 * xU1
-                U2 = U2 + 0.5d+00 * xU2
-                U(0:N-1) = U(0:N-1) + 0.5d+00 * xU(0:N-1)
-
-                ! Contributions to the virial stresses tensor
-                do ii = 0, 2
-                        DR = 0.125d+00 * ( X2(ii) - X1(ii) )
-                        do jj = 0, 2
-                                DS = DR * ( xF2(jj) - xF1(jj) )
-                                S1(ii,jj) = S1(ii,jj) + DS
-                                S2(ii,jj) = S2(ii,jj) + DS
-                        end do
-                end do
-                XX = 0.5d+00 * ( X2 + X1 )
-                if ( EType > 2 ) then
-                        DQ =  Xe - XX
-                        call ApplyPeriodicBC ( DQ )
-                        DQ = DQ / 6.0d+00
-                        do ii = 0, 2
-                                do jj = 0, 2
-                                        DS = DQ(ii) * xFe(jj)
-                                        S1(ii,jj) = S1(ii,jj) + DS
-                                        S2(ii,jj) = S1(ii,jj) + DS
-                                        Se(ii,jj) = Se(ii,jj) + DS
-                                end do
-                        end do
-                end if
-                do k = 0, N - 2
-                        DQ = 0.5d+00 * ( X(0:2,k+1) + X(0:2,k) ) - XX
-                        call ApplyPeriodicBC ( DQ )
-                        DQ = 0.125d+00 * DQ
-                        G  = G1(0:2,k+1) + G2(0:2,k)
-                        DG = G1(0:2,k+1) - G2(0:2,k)
-                        do ii = 0, 2
-                                DR = 0.125d+00 * ( X(ii,k+1) - X(ii,k) )
-                                do jj = 0, 2
-                                        DS  = DQ(ii) * G(jj)
-                                        DS1 = DS + DR * DG(jj)
-                                        S1(ii,jj) = S1(ii,jj) + DS
-                                        S2(ii,jj) = S2(ii,jj) + DS
-                                        S(ii,jj,k) = S(ii,jj,k) + DS1
-                                        S(ii,jj,k+1) = S(ii,jj,k+1) + DS1
-                                end do
-                        end do
-                end do
-
-                ! Final forces
-                F1 = F1 + 0.5d+00 * xF1
-                F2 = F2 + 0.5d+00 * xF2
-                F(0:2,0:N-1) = F(0:2,0:N-1) + 0.5d+00 * xF(0:2,0:N-1)
-                if ( EType > 2 ) then
-                        Fe = Fe + 0.5d+00 * xFe
-                end if
-
-        end subroutine SegmentTubeForceField !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
-
-end module TPMForceField !**************************************************************************
diff --git a/lib/mesont/TPMGeom.f90 b/lib/mesont/TPMGeom.f90
deleted file mode 100644
index 5e8ab73645..0000000000
--- a/lib/mesont/TPMGeom.f90
+++ /dev/null
@@ -1,155 +0,0 @@
-! ------------ ----------------------------------------------------------
-!   LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
-!   https://www.lammps.org/ Sandia National Laboratories
-!   LAMMPS development team: developers@lammps.org
-!
-!   Copyright (2003) Sandia Corporation.  Under the terms of Contract
-!   DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains
-!   certain rights in this software.  This software is distributed under
-!   the GNU General Public License.
-!
-!   See the README file in the top-level LAMMPS directory.
-!
-!   Contributing author: Alexey N. Volkov, UA, avolkov1@ua.edu
-!-------------------------------------------------------------------------
-
-module TPMGeom !************************************************************************************
-!
-! Geometry functions.
-!
-!---------------------------------------------------------------------------------------------------
-!
-! Intel Fortran
-!
-! Alexey N. Volkov, University of Alabama, avolkov1@ua.edu, Version 09.01, 2017
-!
-!***************************************************************************************************
-
-use TPMLib
-use iso_c_binding, only : c_int, c_double, c_char
-implicit none
-
-!---------------------------------------------------------------------------------------------------
-! Constants
-!---------------------------------------------------------------------------------------------------
-
-        integer(c_int), parameter    :: MD_LINES_NONPAR      = 0
-        integer(c_int), parameter    :: MD_LINES_PAR         = 1
-
-!---------------------------------------------------------------------------------------------------
-! Global variables
-!---------------------------------------------------------------------------------------------------
-
-        ! Coordinates of the whole domain
-        real(c_double)                  :: DomXmin, DomXmax, DomYmin, DomYmax, DomZmin, DomZmax
-        real(c_double)                  :: DomLX, DomLY, DomLZ
-        real(c_double)                  :: DomLXhalf, DomLYhalf, DomLZhalf
-
-        ! Boundary conditions
-        integer(c_int)               :: BC_X            = 0
-        integer(c_int)               :: BC_Y            = 0
-        integer(c_int)               :: BC_Z            = 0
-
-        ! Skin parameter in NBL and related algorithms
-        real(c_double)                  :: Rskin        = 1.0d+00
-
-contains !******************************************************************************************
-
-        subroutine ApplyPeriodicBC ( R ) !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
-        ! This subroutine changes coordinates of the point according to the periodic boundary conditions
-        ! it order to make sure that the point is inside the computational cell,
-        !-------------------------------------------------------------------------------------------
-        real(c_double), dimension(0:2), intent(inout)   :: R
-        !-------------------------------------------------------------------------------------------
-                if ( BC_X == 1 ) then
-                        if ( R(0) .GT. DomLXHalf ) then
-                                R(0) = R(0) - DomLX
-                        else if ( R(0) .LT. - DomLXHalf ) then
-                                R(0) = R(0) + DomLX
-                        end if
-                end if
-                if ( BC_Y == 1 ) then
-                        if ( R(1) .GT. DomLYHalf ) then
-                                R(1) = R(1) - DomLY
-                        else if ( R(1) .LT. - DomLYHalf ) then
-                                R(1) = R(1) + DomLY
-                        end if
-                end if
-                if ( BC_Z == 1 ) then
-                        if ( R(2) .GT. DomLZHalf ) then
-                                R(2) = R(2) - DomLZ
-                        else if ( R(2) .LT. - DomLZHalf ) then
-                                R(2) = R(2) + DomLZ
-                        end if
-                end if
-        end subroutine ApplyPeriodicBC !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
-
-        subroutine LinePoint ( Displacement, Q, R1, L1, R0 ) !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
-        ! This function calculates the point Q of projection of point R0 onto line (R1,L1).
-        ! Q = R1 + Displacement * L1.
-        !-------------------------------------------------------------------------------------------
-        real(c_double), intent(inout)                   :: Displacement
-        real(c_double), dimension(0:2), intent(inout)   :: Q
-        real(c_double), dimension(0:2), intent(in)      :: R1, L1, R0
-        !--------------------------------------------------------------------------------------------
-                Q = R0 - R1
-                ! Here we take into account periodic boundaries
-                call ApplyPeriodicBC ( Q )
-                Displacement = S_V3xV3 ( Q, L1 )
-                Q = R1 + Displacement * L1
-        end subroutine LinePoint !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
-
-        integer(c_int) function LineLine ( H, cosA, D1, D2, L12, R1, L1, R2, L2, Prec ) !!!!!!!!!!!!
-        ! This function determines the smallest distance H between two lines (R1,L1) and (R2,L2).
-        !-------------------------------------------------------------------------------------------
-        ! Input values:
-        !      R1, L1, point and direction of line 1.
-        !      R2, L2, point and direction of line 2.
-        !      Prec, precision for the case L1 * L2 = 0 (parallel lines).
-        ! Return values:
-        !      H, minimum distance between lines.
-        !      cosA, cosine of the angle between lines.
-        !      D1, D2, displacements.
-        !      L12, unit vector directed along the closest distance.
-        !-------------------------------------------------------------------------------------------
-        real(c_double), intent(inout)                   :: H, cosA, D1, D2
-        real(c_double), dimension(0:2), intent(out)     :: L12
-        real(c_double), dimension(0:2), intent(in)      :: R1, L1, R2, L2
-        !-------------------------------------------------------------------------------------------
-        real(c_double), intent(in)                      :: Prec
-        real(c_double), dimension(0:2)                  :: Q1, Q2, R
-        real(c_double)                                  :: C, DD1, DD2, C1, C2
-        !-------------------------------------------------------------------------------------------
-                cosA = S_V3xV3 ( L1, L2 )
-                C     = 1.0 - sqr ( cosA )
-                if ( C < Prec ) then ! Lines are parallel to each other
-                        LineLine = MD_LINES_PAR
-                        return
-                end if
-                LineLine = MD_LINES_NONPAR
-                R = R2 - R1
-                ! Here we take into account periodic boundary conditions
-                call ApplyPeriodicBC ( R )
-                DD1 = S_V3xV3 ( R, L1 )
-                DD2 = S_V3xV3 ( R, L2 )
-                D1 = ( cosA * DD2 - DD1 ) / C
-                D2 = ( DD2 - cosA * DD1 ) / C
-                Q1 = R1 - D1 * L1
-                Q2 = R2 - D2 * L2
-                L12 = Q2 - Q1
-                ! Here we take into account periodic boundary conditions
-                call ApplyPeriodicBC ( L12 )
-                H = S_V3norm3 ( L12 )
-                if ( H < Prec ) then ! Lines intersect each other
-                        C1 = signum ( D1 )
-                        C2 = signum ( D1 ) * signum ( cosA )
-                        Q1 = C1 * L1
-                        Q2 = C2 * L2
-                        call V3_V3xxV3 ( L12, Q1, Q2 )
-                        call V3_ort ( L12 )
-                else ! No intersection
-                        L12 = L12 / H
-                end if
-        end function LineLine !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
-
-end module TPMGeom !********************************************************************************
diff --git a/lib/mesont/TPMLib.f90 b/lib/mesont/TPMLib.f90
deleted file mode 100644
index c8abaa40b4..0000000000
--- a/lib/mesont/TPMLib.f90
+++ /dev/null
@@ -1,215 +0,0 @@
-! ------------ ----------------------------------------------------------
-!   LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
-!   https://www.lammps.org/ Sandia National Laboratories
-!   LAMMPS development team: developers@lammps.org
-!
-!   Copyright (2003) Sandia Corporation.  Under the terms of Contract
-!   DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains
-!   certain rights in this software.  This software is distributed under
-!   the GNU General Public License.
-!
-!   See the README file in the top-level LAMMPS directory.
-!
-!   Contributing author: Alexey N. Volkov, UA, avolkov1@ua.edu
-!-------------------------------------------------------------------------
-
-module TPMLib !*************************************************************************************
-!
-! Basic constants, types, and mathematical functions.
-!
-!---------------------------------------------------------------------------------------------------
-!
-! Intel Fortran
-!
-! Alexey N. Volkov, University of Alabama, avolkov1@ua.edu, Version 09.01, 2017
-!
-!***************************************************************************************************
-use iso_c_binding, only : c_int, c_double, c_char
-implicit none
-
-!---------------------------------------------------------------------------------------------------
-! Mathematical constants
-!---------------------------------------------------------------------------------------------------
-
-        real(c_double), parameter  :: M_PI_2            = 1.57079632679489661923
-        real(c_double), parameter  :: M_PI              = 3.14159265358979323846
-        real(c_double), parameter  :: M_3PI_2           = 4.71238898038468985769
-        real(c_double), parameter  :: M_2PI             = 6.28318530717958647692
-        real(c_double), parameter  :: M_PI_180          = 0.017453292519943295769
-
-!---------------------------------------------------------------------------------------------------
-! Physical unit constants
-!---------------------------------------------------------------------------------------------------
-
-        real(c_double), parameter  :: K_AMU             = 1.66056E-27           ! a.m.u. (atomic mass unit, Dalton)
-        real(c_double), parameter  :: K_EV              = 1.60217646e-19        ! eV (electron-volt)
-
-        real(c_double), parameter  :: K_MDLU            = 1.0E-10               ! MD length unit (m)
-        real(c_double), parameter  :: K_MDEU            = K_EV                  ! MD energy unit (J)
-        real(c_double), parameter  :: K_MDMU            = K_AMU                 ! MD mass unit (kg)
-        real(c_double), parameter  :: K_MDFU            = K_MDEU / K_MDLU       ! MD force unit (N)
-        real(c_double), parameter  :: K_MDCU            = K_MDEU / K_MDMU       ! MD specific heat unit (J/(kg*K))
-
-!---------------------------------------------------------------------------------------------------
-! Global variables
-!---------------------------------------------------------------------------------------------------
-
-        integer(c_int)             :: StdUID            = 31
-
-contains !******************************************************************************************
-
-!---------------------------------------------------------------------------------------------------
-! Simple mathematical functions
-!---------------------------------------------------------------------------------------------------
-
-        real(c_double) function rad ( X ) !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
-        real(c_double), intent(in)      :: X
-        !-------------------------------------------------------------------------------------------
-                rad = X * M_PI_180
-        end function rad !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
-
-        real(c_double) function sqr ( X ) !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
-        real(c_double), intent(in)      :: X
-        !-------------------------------------------------------------------------------------------
-                sqr = X * X
-        end function sqr !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
-
-        integer(c_int) function signum ( X )  !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
-        real(c_double), intent(in)      :: X
-        !-------------------------------------------------------------------------------------------
-                if ( X > 0 ) then
-                        signum = 1
-                else if ( X < 0 ) then
-                        signum = -1
-                else
-                        signum = 0
-                end if
-        end function signum !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
-
-!---------------------------------------------------------------------------------------------------
-! Vector & matrix functions
-!---------------------------------------------------------------------------------------------------
-
-        real(c_double) function S_V3xx ( V ) !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
-        real(c_double), dimension(0:2), intent(in)      :: V
-        !-------------------------------------------------------------------------------------------
-                S_V3xx = V(0) * V(0) + V(1) * V(1) + V(2) * V(2)
-        end function S_V3xx !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
-
-        real(c_double) function S_V3xV3 ( V1, V2 ) !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
-        real(c_double), dimension(0:2), intent(in)      :: V1, V2
-        !-------------------------------------------------------------------------------------------
-                S_V3xV3 = V1(0) * V2(0) + V1(1) * V2(1) + V1(2) * V2(2)
-        end function S_V3xV3 !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
-
-        real(c_double) function S_V3norm3 ( V ) !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
-        real(c_double), dimension(0:2), intent(in)      :: V
-        !-------------------------------------------------------------------------------------------
-                S_V3norm3 = dsqrt ( V(0) * V(0) + V(1) * V(1) + V(2) * V(2) )
-        end function S_V3norm3 !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
-
-        subroutine V3_ort ( V ) !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
-        real(c_double), dimension(0:2), intent(inout)   :: V
-        !-------------------------------------------------------------------------------------------
-        real(c_double)                                  :: Vabs
-        !-------------------------------------------------------------------------------------------
-                Vabs = S_V3norm3 ( V )
-                V(0) = V(0) / Vabs
-                V(1) = V(1) / Vabs
-                V(2) = V(2) / Vabs
-        end subroutine V3_ort !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
-
-        subroutine V3_V3xxV3 ( V, V1, V2 ) !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
-        real(c_double), dimension(0:2), intent(out)     :: V
-        real(c_double), dimension(0:2), intent(in)      :: V1, V2
-        !-------------------------------------------------------------------------------------------
-                V(0) = V1(1) * V2(2) - V1(2) * V2(1)
-                V(1) = V1(2) * V2(0) - V1(0) * V2(2)
-                V(2) = V1(0) * V2(1) - V1(1) * V2(0)
-        end subroutine V3_V3xxV3 !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
-
-!---------------------------------------------------------------------------------------------------
-! Handling of spherical and Euler angles
-!---------------------------------------------------------------------------------------------------
-
-        subroutine RotationMatrix3  ( M, Psi, Tet, Phi ) !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
-        ! Ksi, Tet and Phi are Euler angles
-        !-------------------------------------------------------------------------------------------
-        real(c_double), dimension(0:2,0:2), intent(out) :: M
-        real(c_double), intent(in)                      :: Psi, Tet, Phi
-        !-------------------------------------------------------------------------------------------
-        real(c_double)                                  :: cK, sK, cT, sT, cP, sP
-        !-------------------------------------------------------------------------------------------
-                cK = dcos ( Psi )
-                sK = dsin ( Psi )
-                cT = dcos ( Tet )
-                sT = dsin ( Tet )
-                cP = dcos ( Phi )
-                sP = dsin ( Phi )
-                M(0,0) = cP * cK - sK * sP * cT
-                M(0,1) = cP * sK + sP * cT * cK
-                M(0,2) = sP * sT
-                M(1,0) = - sP * cK - cP * cT * sK
-                M(1,1) = - sP * sK + cP * cT * cK
-                M(1,2) = cP * sT
-                M(2,0) = sT * sK
-                M(2,1) = - sT * cK
-                M(2,2) = cT
-        end subroutine RotationMatrix3 !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
-
-        subroutine EulerAngles ( Psi, Tet, L ) !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
-        real(c_double), intent(out)                     :: Tet, Psi
-        real(c_double), dimension(0:2), intent(in)      :: L
-        !-------------------------------------------------------------------------------------------
-                Tet = acos ( L(2) )
-                Psi = atan2 ( L(1), L(0) )
-                if ( Psi > M_3PI_2 ) then
-                        Psi = Psi - M_3PI_2
-                else
-                        Psi = Psi + M_PI_2
-                end if
-        end subroutine EulerAngles !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
-
-!---------------------------------------------------------------------------------------------------
-! File input and output
-!---------------------------------------------------------------------------------------------------
-
-        integer(c_int) function OpenFile ( Name, Params, Path ) !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
-        character*(*), intent(in)       :: Name, Params, Path
-        !-------------------------------------------------------------------------------------------
-        integer(c_int)                       :: Fuid
-        character*512                   :: FullName, Msg, Name1, Action1, Status1, Form1, Position1
-        !-------------------------------------------------------------------------------------------
-                OpenFile = StdUID + 1
-                if ( Params(1:1) == 'r' ) then
-                        Action1   = 'read'
-                        Status1   = 'old'
-                        Position1 = 'rewind'
-                else if ( Params(1:1) == 'w' ) then
-                        Action1 = 'write'
-                        Status1 = 'replace'
-                        Position1 = 'rewind'
-                else if ( Params(1:1) == 'a' ) then
-                        Action1 = 'write'
-                        Status1 = 'old'
-                        Position1 = 'append'
-                endif
-                if ( Params(2:2) == 'b' ) then
-                        Form1 = 'binary'
-                else
-                        Form1 = 'formatted'
-                endif
-                open ( unit = OpenFile, file = Name, form = Form1, action = Action1, status = Status1, position = Position1 )
-                StdUID = StdUID + 1
-                return
-        end function OpenFile !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
-
-        subroutine CloseFile ( Fuid ) !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
-        integer(c_int), intent(inout)        :: Fuid
-        !-------------------------------------------------------------------------------------------
-                if ( Fuid < 0 ) return
-                close ( unit = Fuid )
-                Fuid = -1
-        end subroutine CloseFile !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
-
-end module TPMLib !*********************************************************************************
diff --git a/lib/mesont/TPMM0.f90 b/lib/mesont/TPMM0.f90
deleted file mode 100644
index 175e1c4cce..0000000000
--- a/lib/mesont/TPMM0.f90
+++ /dev/null
@@ -1,194 +0,0 @@
-! ------------ ----------------------------------------------------------
-!   LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
-!   https://www.lammps.org/ Sandia National Laboratories
-!   LAMMPS development team: developers@lammps.org
-!
-!   Copyright (2003) Sandia Corporation.  Under the terms of Contract
-!   DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains
-!   certain rights in this software.  This software is distributed under
-!   the GNU General Public License.
-!
-!   See the README file in the top-level LAMMPS directory.
-!
-!   Contributing author: Alexey N. Volkov, UA, avolkov1@ua.edu
-!-------------------------------------------------------------------------
-
-module TPMM0 !**************************************************************************************
-!
-! Combined/Weighted TPM potential of type 0.
-!
-! Direct application of SST potential to calculation of segment-segment interaction.
-!
-!---------------------------------------------------------------------------------------------------
-!
-! Intel Fortran
-!
-! Alexey N. Volkov, University of Alabama, avolkov1@ua.edu, Version 09.01, 2017
-!
-!***************************************************************************************************
-
-use TubePotMono
-use iso_c_binding, only : c_int, c_double, c_char
-implicit none
-
-contains !******************************************************************************************
-
-        integer(c_int) function TPMInteractionFSS ( Q, U, F1_1, F1_2, F2_1, F2_2, R1_1, R1_2, R2_1, R2_2, EType )
-        real(c_double), intent(inout)                   :: Q, U
-        real(c_double), dimension(0:2), intent(inout)   :: F1_1, F1_2, F2_1, F2_2
-        real(c_double), dimension(0:2), intent(in)      :: R1_1, R1_2, R2_1, R2_2
-        integer(c_int), intent(in)                      :: EType
-        !-------------------------------------------------------------------------------------------
-        real(c_double)                                  :: Qa, Ua, Fd, L2
-        real(c_double), dimension(0:2)                  :: F1_1a, F1_2a, F2_1a, F2_2a, R2_3, R2, Laxis2, F
-        integer(c_int)                          :: IntSign
-        !-------------------------------------------------------------------------------------------
-                R2 = 0.5d+00 * ( R2_1 + R2_2 )
-                Laxis2 = R2_2 - R2_1
-                L2 = S_V3norm3 ( Laxis2 )
-                Laxis2 = Laxis2 / L2
-                if ( EType < 2 ) then
-                        TPMInteractionFSS = TPMInteractionF ( Q, U, F1_1, F1_2, F2_1, F2_2, Fd, R1_1, R1_2, R2_1, R2_2, 1 )
-                        R2_3 = R2_2 + R2_2 - R2_1
-                        IntSign = TPMInteractionF ( Qa, Ua, F1_1a, F1_2a, F2_1a, F2_2a, Fd, R1_1, R1_2, R2_2, R2_3, 1 )
-                        if ( IntSign > 0 ) then
-                                TPMInteractionFSS = 1
-                                call TPMSegmentForces ( F2_1a, F2_2a, F1_1a, F1_2a, R1_1, R1_2, R2, Laxis2, L2 )
-                                F = ( Fd - S_V3xV3 ( F2_2a, Laxis2 ) ) * Laxis2
-                                F2_2a = F2_2a + F
-                                F2_1a = F2_1a - F
-                        end if
-                else
-                        TPMInteractionFSS = TPMInteractionF ( Q, U, F1_1, F1_2, F2_1, F2_2, Fd, R1_1, R1_2, R2_1, R2_2, 2 )
-                        R2_3 = R2_1 + R2_1 - R2_2
-                        IntSign = TPMInteractionF ( Qa, Ua, F1_1a, F1_2a, F2_1a, F2_2a, Fd, R1_1, R1_2, R2_1, R2_3, 1 )
-                        if ( IntSign > 0 ) then
-                                TPMInteractionFSS = 1
-                                call TPMSegmentForces ( F2_1a, F2_2a, F1_1a, F1_2a, R1_1, R1_2, R2, Laxis2, L2 )
-                                F = ( - Fd - S_V3xV3 ( F2_1a, Laxis2 ) ) * Laxis2
-                                F2_1a = F2_1a + F
-                                F2_2a = F2_2a - F
-                        end if
-                end if
-                if ( IntSign > 0 ) then
-                        Q = Q - Qa
-                        if ( Q < 0.0d+00 ) Q = 0.0d+00
-                        U = U - Ua
-                        F2_1 = F2_1 - F2_1a
-                        F2_2 = F2_2 - F2_2a
-                        F1_1 = F1_1 - F1_1a
-                        F1_2 = F1_2 - F1_2a
-                end if
-        end function TPMInteractionFSS !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
-
-        integer(c_int) function TPMInteractionFW0 ( QQ, U, U1, U2, UU, F1, F2, F, G1, G2, R1, R2, N, NMAX, R )
-        real(c_double), intent(inout)                           :: U, U1, U2
-        integer(c_int), intent(in)                              :: N, NMAX
-        real(c_double), dimension(0:NMAX-1), intent(out)        :: QQ, UU
-        real(c_double), dimension(0:2), intent(out)             :: F1, F2
-        real(c_double), dimension(0:2,0:NMAX-1), intent(out)    :: F, G1, G2
-        real(c_double), dimension(0:2), intent(in)              :: R1, R2
-        real(c_double), dimension(0:2,0:NMAX-1), intent(in)     :: R
-        !-------------------------------------------------------------------------------------------
-        integer(c_int)                                          :: i, SType2, GeomID, EType
-        real(c_double)                                          :: Ua
-        real(c_double), dimension(0:2)                          :: F1_1a, F1_2a, F2_1a, F2_2a
-        real(c_double), dimension(0:2)                          :: R1a, R2a, Laxis1, Laxis2, L12, DR
-        real(c_double)                                          :: L1, L2, D1, D2, H, cosA, D, Dmina, Dminb
-        !-------------------------------------------------------------------------------------------
-                QQ = 0.0d+00
-                U  = 0.0d+00
-                U1 = 0.0d+00
-                U2 = 0.0d+00
-                UU = 0.0d+00
-                F1 = 0.0d+00
-                F2 = 0.0d+00
-                F  = 0.0d+00
-                G1 = 0.0d+00
-                G2 = 0.0d+00
-                TPMInteractionFW0 = 0
-                do i = 0, N - 2
-                        R1a = 0.5d+00 * ( R1 + R2 )
-                        R2a = 0.5d+00 * ( R(0:2,i+1) + R(0:2,i) )
-                        Laxis1 = R2 - R1
-                        Laxis2 = R(0:2,i+1) - R(0:2,i)
-                        L1 = S_V3norm3 ( Laxis1 )
-                        L2 = S_V3norm3 ( Laxis2 )
-                        Laxis1 = Laxis1 / L1
-                        Laxis2 = Laxis2 / L2
-                        L2 = 0.5d+00 * L2
-                        L1 = 0.5d+00 * L1
-                        GeomID = LineLine ( H, cosA, D1, D2, L12, R1a, Laxis1, R2a, Laxis2, TPGeomPrec )
-
-                        DR = R1 - R(0:2,i)
-                        call ApplyPeriodicBC ( DR )
-                        Dmina = sqr ( DR(0) ) + sqr ( DR(1) ) + sqr ( DR(2) )
-                        DR = R2 - R(0:2,i)
-                        call ApplyPeriodicBC ( DR )
-                        D = sqr ( DR(0) ) + sqr ( DR(1) ) + sqr ( DR(2) )
-                        if ( D < Dmina ) Dmina = D
-                        if ( GeomID == MD_LINES_NONPAR ) then
-                                D = ( D2 - L2 ) * cosA
-                                if ( D > D1 - L1 .and. D < D1 + L1 ) then
-                                        D = sqr ( D2 - L2 ) * ( 1.0d+00 - sqr ( cosA ) ) + sqr ( H )
-                                        if ( D < Dmina ) Dmina = D
-                                end if
-                        else
-                                call LinePoint ( D, DR, R1, Laxis1, R(0:2,i) )
-                                if ( D > 0.0d+00 .and. D < 2.0d+00 * L1 ) then
-                                        DR = DR - R(0:2,i)
-                                        call ApplyPeriodicBC ( DR )
-                                        D = sqr ( DR(0) ) + sqr ( DR(1) ) + sqr ( DR(2) )
-                                        if ( D < Dmina ) Dmina = D
-                                end if
-                        end if
-
-                        DR = R1 - R(0:2,i+1)
-                        call ApplyPeriodicBC ( DR )
-                        Dminb = sqr ( DR(0) ) + sqr ( DR(1) ) + sqr ( DR(2) )
-                        DR = R2 - R(0:2,i+1)
-                        call ApplyPeriodicBC ( DR )
-                        D = sqr ( DR(0) ) + sqr ( DR(1) ) + sqr ( DR(2) )
-                        if ( D < Dminb ) Dminb = D
-                        if ( GeomID == MD_LINES_NONPAR ) then
-                                D = ( D2 + L2 ) * cosA
-                                if ( D > D1 - L1 .and. D < D1 + L1 ) then
-                                        D = sqr ( D2 + L2 ) * ( 1.0d+00 - sqr ( cosA ) ) + sqr ( H )
-                                        if ( D < Dminb ) Dminb = D
-                                end if
-                        else
-                                call LinePoint ( D, DR, R1, Laxis1, R(0:2,i+1) )
-                                if ( D > 0.0d+00 .and. D < 2.0d+00 * L1 ) then
-                                        DR = DR - R(0:2,i+1)
-                                        call ApplyPeriodicBC ( DR )
-                                        D = sqr ( DR(0) ) + sqr ( DR(1) ) + sqr ( DR(2) )
-                                        if ( D < Dminb ) Dminb = D
-                                end if
-                        end if
-
-                        if ( Dmina < Dminb ) then
-                                EType = 1
-                        else
-                                EType = 2
-                        end if
-
-                        if ( TPMInteractionFSS ( QQ(i), Ua, F1_1a, F1_2a, F2_1a, F2_2a, R1, R2, R(0:2,i), R(0:2,i+1), &
-                        EType ) > 0 ) then
-                                                        TPMInteractionFW0 = 1
-                                U = U + Ua
-                                Ua = 0.25d+00 * Ua
-                                U1 = U1 + Ua
-                                U2 = U2 + Ua
-                                UU(i) = UU(i) + Ua
-                                UU(i+1) = UU(i+1) + Ua
-                                F1 = F1 + F1_1a
-                                F2 = F2 + F1_2a
-                                F(0:2,i) = F(0:2,i) + F2_1a
-                                F(0:2,i+1) = F(0:2,i+1) + F2_2a
-                                G2(0:2,i) = F2_1a
-                                G1(0:2,i+1) = F2_2a
-                        end if
-                end do
-        end function TPMInteractionFW0 !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
-
-end module TPMM0 !**********************************************************************************
diff --git a/lib/mesont/TPMM1.f90 b/lib/mesont/TPMM1.f90
deleted file mode 100644
index c27c239d8b..0000000000
--- a/lib/mesont/TPMM1.f90
+++ /dev/null
@@ -1,372 +0,0 @@
-! ------------ ----------------------------------------------------------
-!   LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
-!   https://www.lammps.org/ Sandia National Laboratories
-!   LAMMPS development team: developers@lammps.org
-!
-!   Copyright (2003) Sandia Corporation.  Under the terms of Contract
-!   DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains
-!   certain rights in this software.  This software is distributed under
-!   the GNU General Public License.
-!
-!   See the README file in the top-level LAMMPS directory.
-!
-!   Contributing author: Alexey N. Volkov, UA, avolkov1@ua.edu
-!-------------------------------------------------------------------------
-
-module TPMM1 !**************************************************************************************
-!
-! Combined/Weighted potential of type 1.
-!
-! Calculation of the combined potential is based on the 'extended' chain.
-!
-!---------------------------------------------------------------------------------------------------
-!
-! Intel Fortran.
-!
-! Alexey N. Volkov, University of Alabama, avolkov1@ua.edu, Version 09.01, 2017
-!
-!***************************************************************************************************
-
-use TubePotMono
-use iso_c_binding, only : c_int, c_double, c_char
-implicit none
-
-!---------------------------------------------------------------------------------------------------
-! Constants
-!---------------------------------------------------------------------------------------------------
-
-        ! Maximum length of a segment chain
-        integer(c_int), parameter                               :: TPM_MAX_CHAIN = 100
-
-!---------------------------------------------------------------------------------------------------
-! Numerical parameters
-!---------------------------------------------------------------------------------------------------
-
-        ! Switching parameters
-        real(c_double)                                          :: TPMC123 = 1.0d+00    ! Non-dimensional
-        real(c_double)                                          :: TPMC3 = 10.0d+00     ! (A)
-
-!---------------------------------------------------------------------------------------------------
-! Global variables
-!---------------------------------------------------------------------------------------------------
-
-        ! These global variables are used to speedup calculations
-        real(c_double), dimension(0:2,0:TPM_MAX_CHAIN-1)        :: E1, E2, EE1, EE2
-        real(c_double), dimension(0:2)                          :: Q1, Q2, Qe, Qe1, DR, Z1, Z2, S1, S2, Pe, Pe1
-        real(c_double), dimension(0:TPM_MAX_CHAIN-1)            :: W, C
-        real(c_double), dimension(0:2)                          :: RR, E10
-        real(c_double)                                          :: L10, D10
-
-contains !******************************************************************************************
-
-        subroutine PairWeight1 ( W, E1_1, E1_2, E2_1, E2_2, R2_1, R2_2 ) !!!!!!!!!!!!!!!!!!!!!!!!!!!
-        real(c_double), intent(out)                     :: W
-        real(c_double), dimension(0:2), intent(out)     :: E1_1, E1_2, E2_1, E2_2
-        real(c_double), dimension(0:2), intent(in)      :: R2_1, R2_2
-        !-------------------------------------------------------------------------------------------
-        real(c_double)                                  :: D, L20, D20, t, dWdD
-        real(c_double), dimension(0:2)                  :: E, E20
-        !-------------------------------------------------------------------------------------------
-                E = 0.5d+00 * ( R2_1 + R2_2 ) - RR
-                call ApplyPeriodicBC ( E )
-                D = E(0) * E(0) + E(1) * E(1) + E(2) * E(2)
-                if ( D < D10 * D10 ) then
-                        W = 1.0d+00
-                        E1_1 = 0.0d+00
-                        E1_2 = 0.0d+00
-                        E2_1 = 0.0d+00
-                        E2_2 = 0.0d+00
-                        return
-                end if
-                E20 = 0.5d+00 * ( R2_2 - R2_1 )
-                L20 = sqrt ( S_V3xx ( E20 ) + sqr ( TPMR2 ) )
-                D20 = L10 + L20 + TPBRcutoff + RSkin
-                if ( D > D20 * D20 ) then
-                        W = 0.0d+00
-                        E1_1 = 0.0d+00
-                        E1_2 = 0.0d+00
-                        E2_1 = 0.0d+00
-                        E2_2 = 0.0d+00
-                        return
-                end if
-                D = sqrt ( D )
-                E = E / D
-                E20 = E20 / L20
-                D20 = D20 - D10
-                t = ( D - D10 ) / D20
-                W = 1.0d+00 - t * t * ( 3.0d+00 - 2.0d+00 * t )
-                dWdD = 3.0d+00 * t * ( t - 1.0d+00 ) / D20
-                E1_1 = dWdD * ( t * E10 - E )
-                E1_2 = dWdD * ( - t * E10 - E )
-                E2_1 = dWdD * ( E + t * E20 )
-                E2_2 = dWdD * ( E - t * E20 )
-        end subroutine PairWeight1 !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
-
-        integer(c_int) function EndWeight1 ( W, E1_1, E1_2, E2_1, E2_2, R1_1, R1_2, R2_1, R2_2 ) !!!
-        real(c_double), intent(out)                     :: W
-        real(c_double), dimension(0:2), intent(out)     :: E1_1, E1_2, E2_1, E2_2
-        real(c_double), dimension(0:2), intent(in)      :: R1_1, R1_2, R2_1, R2_2
-        !-------------------------------------------------------------------------------------------
-        real(c_double)                                  :: D, L20
-        real(c_double)                                  :: D1, D2, t, dWdD
-        real(c_double), dimension(0:2)                  :: RR, E, E20
-        !-------------------------------------------------------------------------------------------
-                E = 0.5d+00 * ( R2_1 + R2_2 - ( R1_1 + R1_2 ) )
-                call ApplyPeriodicBC ( E )
-                D = S_V3norm3 ( E )
-                E20 = 0.5d+00 * ( R2_2 - R2_1 )
-                L20 = sqrt ( S_V3xx ( E20 ) + sqr ( TPMR2 ) )
-                D1 = L10 + L20 + TPBRcutoff + RSkin
-                if ( D < D1 ) then
-                        EndWeight1 = 0
-                        W = 1.0d+00
-                        E1_1 = 0.0d+00
-                        E1_2 = 0.0d+00
-                        E2_1 = 0.0d+00
-                        E2_2 = 0.0d+00
-                        return
-                end if
-                D2 = D1 + TPMC3
-                if ( D > D2 ) then
-                        EndWeight1 = 2
-                        W = 0.0d+00
-                        E1_1 = 0.0d+00
-                        E1_2 = 0.0d+00
-                        E2_1 = 0.0d+00
-                        E2_2 = 0.0d+00
-                        return
-                end if
-                EndWeight1 = 1
-                E = E / D
-                E20 = E20 / L20
-                t = ( D - D1 ) / TPMC3
-                W = 1.0d+00 - t * t * ( 3.0d+00 - 2.0d+00 * t )
-                dWdD = 3.0d+00 * t * ( t - 1.0d+00 ) / TPMC3
-                E1_1 = dWdD * ( E10 - E )
-                E1_2 = dWdD * ( - E10 - E )
-                E2_1 = dWdD * ( E + E20 )
-                E2_2 = dWdD * ( E - E20 )
-        end function EndWeight1 !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
-
-        integer(c_int) function TPMInteractionFC1 ( Q, U, F1, F2, P1, P2, Pe, Pe1, R1, R2, Q1, Q2, Qe, Qe1, EType )
-        real(c_double), intent(out)                     :: Q, U
-        real(c_double), dimension(0:2), intent(out)     :: F1, F2, P1, P2, Pe, Pe1
-        real(c_double), dimension(0:2), intent(in)      :: R1, R2, Q1, Q2, Qe, Qe1
-        integer(c_int), intent(in)                      :: EType
-        !-------------------------------------------------------------------------------------------
-        real(c_double), dimension(0:2)                  :: M, QX, Me, F1a, F2a, P1a, P2a, F1b, F2b, P1b, P2b, ER1, ER2, EQe, EQe1
-        real(c_double)                                  :: W, W1, D, Qa, Qb, Ua, Ub, L, Pee, Peea, Peeb, DU
-        integer(c_int)                                  :: IntSigna, IntSignb, CaseID
-        !-------------------------------------------------------------------------------------------
-                if ( EType == 0 ) then
-                        TPMInteractionFC1 = TPMInteractionF ( Q, U, F1, F2, P1, P2, Pee, R1, R2, Q1, Q2, 0 )
-                        Pe = 0.0d+00
-                        Pe1 = 0.0d+00
-                else if ( EType < 3 ) then
-                        QX = 0.5d+00 * ( Q1 + Q2 )
-                        M  = Q2 - Q1
-                        L  = S_V3norm3 ( M )
-                        M  = M / L
-                        Me = Qe - QX
-                        D = S_V3norm3 ( Me )
-                        if ( EType == 1 ) then
-                                TPMInteractionFC1 = TPMInteractionF ( Q, U, F1, F2, P1, P2, Pee, R1, R2, QX - D * M, QX, 1 )
-                        else
-                                TPMInteractionFC1 = TPMInteractionF ( Q, U, F1, F2, P1, P2, Pee, R1, R2, QX, QX + D * M, 2 )
-                        end if
-                        call TPMSegmentForces ( P1, P2, F1, F2, R1, R2, QX, M, L )
-                        Pe  = ( Pee / D ) * Me
-                        Pe1 = 0.0d+00
-                        QX  = 0.5d+00 * Pe
-                        P1  = P1 + QX
-                        P2  = P2 + QX
-                else
-                        CaseID = EndWeight1 ( W, ER1, ER2, EQe, Eqe1, R1, R2, Qe, Qe1 )
-                        if ( CaseID < 2 ) then
-                                QX = 0.5d+00 * ( Q1 + Q2 )
-                                M  = Q2 - Q1
-                                L  = S_V3norm3 ( M )
-                                M  =  M / L
-                                Me = Qe - QX
-                                D = S_V3norm3 ( Me )
-                                if ( EType == 3 ) then
-                                        IntSigna = TPMInteractionF ( Qa, Ua, F1a, F2a, P1a, P2a, Peea, R1, R2, QX - D * M, QX, 1 )
-                                else
-                                        IntSigna = TPMInteractionF ( Qa, Ua, F1a, F2a, P1a, P2a, Peea, R1, R2, QX, QX + D * M, 2 )
-                                end if
-                                call TPMSegmentForces ( P1a, P2a, F1a, F2a, R1, R2, QX, M, L )
-                        end if
-
-                        if ( CaseID > 0 ) then
-                                IntSignb = TPMInteractionF ( Qb, Ub, F1b, F2b, P1b, P2b, Peeb, R1, R2, Q1, Q2, 0 )
-                        end if
-
-                        if ( CaseID == 0 ) then
-                                TPMInteractionFC1 = IntSigna
-                                Q   = Qa
-                                U   = Ua
-                                F1  = F1a
-                                F2  = F2a
-                                Pe  = ( Peea / D ) * Me
-                                Pe1 = 0.0d+00
-                                QX  = 0.5d+00 * Pe
-                                P1  = P1a + QX
-                                P2  = P2a + QX
-                        else if ( CaseID == 2 ) then
-                                TPMInteractionFC1 = IntSignb
-                                Q   = Qb
-                                U   = Ub
-                                F1  = F1b
-                                F2  = F2b
-                                P1  = P1b
-                                P2  = P2b
-                                Pe  = 0.0d+00
-                                Pe1 = 0.0d+00
-                        else
-                                TPMInteractionFC1 = 0
-                                if ( IntSigna > 0 .or. IntSignb > 0 ) TPMInteractionFC1 = 1
-                                W1  = 1.0d+00 - W
-                                DU  = Ub - Ua
-                                Q   = W * Qa + W1 * Qb
-                                U   = W * Ua + W1 * Ub
-                                Pe  = ( W * Peea / D ) * Me
-                                QX  = 0.5d+00 * Pe
-                                F1  = W * F1a + W1 * F1b + DU * ER1
-                                F2  = W * F2a + W1 * F2b + DU * ER2
-                                P1  = W * P1a + W1 * P1b + QX
-                                P2  = W * P2a + W1 * P2b + QX
-                                Pe  = Pe - DU * EQe
-                                Pe1 = - DU * EQe1
-                        end if
-                end if
-        end function TPMInteractionFC1 !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
-
-        integer(c_int) function TPMInteractionFW1 ( QQ, U, U1, U2, UU, F1, F2, F, Fe, G1, G2, R1, R2, N, NMAX, R, Re, EType )
-        real(c_double), intent(out)                             :: U, U1, U2
-        integer(c_int), intent(in)                              :: N, NMAX, EType
-        real(c_double), dimension(0:NMAX-1), intent(out)        :: QQ, UU
-        real(c_double), dimension(0:2), intent(out)             :: F1, F2, Fe
-        real(c_double), dimension(0:2,0:NMAX-1), intent(out)    :: F, G1, G2
-        real(c_double), dimension(0:2), intent(in)              :: R1, R2, Re
-        real(c_double), dimension(0:2,0:NMAX-1), intent(in)     :: R
-        !-------------------------------------------------------------------------------------------
-        integer(c_int)                                          :: i, j
-        real(c_double)                                          :: Q, WW, DD
-        !-------------------------------------------------------------------------------------------
-                Q1 = 0.0d+00
-                Q2 = 0.0d+00
-                WW = 0.0d+00
-                Z1  = 0.0d+00
-                Z2  = 0.0d+00
-                TPMInteractionFW1 = 0
-                E10 = 0.5d+00 * ( R2 - R1 )
-                L10 = sqrt ( S_V3xx ( E10 ) + sqr ( TPMR1 ) )
-                D10 = TPMR1 + TPMR2 + TPMC123 * TPBRcutoff + RSkin
-                E10 = E10 / L10
-                RR  = 0.5d+00 * ( R1 + R2 )
-                do i = 0, N - 2
-                        call PairWeight1 ( W(i), E1(0:2,i), E2(0:2,i), EE1(0:2,i), EE2(0:2,i), R(0:2,i), R(0:2,i+1) )
-                        Q1 = Q1 + W(i) * R(0:2,i)
-                        Q2 = Q2 + W(i) * R(0:2,i+1)
-                        WW = WW + W(i)
-                        Z1  = Z1 + E1(0:2,i)
-                        Z2  = Z2 + E2(0:2,i)
-                end do
-                if ( WW .le. TPGeomPrec ) return
-                Q1 = Q1 / WW
-                Q2 = Q2 / WW
-                Z1  = Z1 / WW
-                Z2  = Z2 / WW
-                if ( EType == 1 ) then
-                        Qe = R(0:2,0)
-                        Qe1 = R(0:2,1)
-                else if ( EType == 2 ) then
-                        Qe = R(0:2,N-1)
-                        Qe1 = R(0:2,N-2)
-                else if ( EType == 3 ) then
-                        Qe = Re
-                        Qe1 = R(0:2,0)
-                else if ( EType == 4 ) then
-                        Qe = Re
-                        Qe1 = R(0:2,N-1)
-                else
-                        Qe = 0.0d+00
-                        Qe1 = 0.0d+00
-                end if
-
-                TPMInteractionFW1 = TPMInteractionFC1 ( Q, U, F1, F2, S1, S2, Pe, Pe1, R1, R2, Q1, Q2, Qe, Qe1, EType )
-                if ( TPMInteractionFW1 == 0 ) return
-
-                W(0:N-2)  = W(0:N-2) / WW
-                E1(0:2,0:N-2) = E1(0:2,0:N-2) / WW
-                E2(0:2,0:N-2) = E2(0:2,0:N-2) / WW
-                EE1(0:2,0:N-2) = EE1(0:2,0:N-2) / WW
-                EE2(0:2,0:N-2) = EE2(0:2,0:N-2) / WW
-                G1(0:2,0:N-1) = 0.0d+00
-                G2(0:2,0:N-1) = 0.0d+00
-                U1 = 0.25d+00 * U
-                U2 = U1
-                UU = 0.0d+00
-                do i = 0, N - 2
-                        QQ(i)   = W(i) * Q
-                        DD      = W(i) * U1
-                        UU(i)   = UU(i) + DD
-                        UU(i+1) = UU(i+1) + DD
-                end do
-                do i = 0, N - 2
-                        C(i) = S_V3xV3 ( S1, R(0:2,i) ) + S_V3xV3 ( S2, R(0:2,i+1) )
-                        F1 = F1 + C(i) * ( E1(0:2,i) - W(i) * Z1 )
-                        F2 = F2 + C(i) * ( E2(0:2,i) - W(i) * Z2 )
-                end do
-                F(0:2,0) = W(0) * S1
-                do j = 0, N - 2
-                        if ( j == 0 ) then
-                                DR = EE1(0:2,0) * ( 1.0d+00 - W(0) )
-                        else
-                                DR = - W(j) * EE1(0:2,0)
-                        end if
-                        F(0:2,0) = F(0:2,0) + C(j) * DR
-                end do
-                do i = 1, N - 2
-                        G1(0:2,i) = W(i-1) * S2
-                        G2(0:2,i) = W(i) * S1
-                        do j = 0, N - 2
-                                if ( j == i ) then
-                                        G1(0:2,i) = G1(0:2,i) - C(j) * W(j) * EE2(0:2,i-1)
-                                        G2(0:2,i) = G2(0:2,i) + C(j) * ( EE1(0:2,j) - W(j) * EE1(0:2,i) )
-                                else if ( j == i - 1 ) then
-                                        G1(0:2,i) = G1(0:2,i) + C(j) * ( EE2(0:2,j) - W(j) * EE2(0:2,i-1) )
-                                        G2(0:2,i) = G2(0:2,i) - C(j) * W(j) * EE1(0:2,i)
-                                else
-                                        G1(0:2,i) = G1(0:2,i) - C(j) * W(j) * EE2(0:2,i-1)
-                                        G2(0:2,i) = G2(0:2,i) - C(j) * W(j) * EE1(0:2,i)
-                                end if
-                        end do
-                        F(0:2,i) = G1(0:2,i) + G2(0:2,i)
-                end do
-                F(0:2,N-1) = W(N-2) * S2
-                do j = 0, N - 2
-                        if ( j == N - 2 ) then
-                                DR = EE2(0:2,N-2) * ( 1.0d+00 - W(N-2) )
-                        else
-                                DR = - W(j) * EE2(0:2,N-2)
-                        end if
-                        F(0:2,N-1) = F(0:2,N-1) + C(j) * DR
-                end do
-                Fe = 0.0d+00
-                if ( EType == 1 ) then
-                        F(0:2,0) = F(0:2,0) - Pe
-                else if ( EType == 2 ) then
-                        F(0:2,N-1) = F(0:2,N-1) - Pe
-                else if ( EType == 3 ) then
-                        F(0:2,0) = F(0:2,0) - Pe1
-                        Fe = - Pe
-                else if ( EType == 4 ) then
-                        F(0:2,N-1) = F(0:2,N-1) - Pe1
-                        Fe = - Pe
-                end if
-                G1(0:2,N-1) = F(0:2,N-1)
-                G2(0:2,0) = F(0:2,0)
-        end function TPMInteractionFW1 !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
-
-end module TPMM1 !**********************************************************************************
diff --git a/lib/mesont/TubePotBase.f90 b/lib/mesont/TubePotBase.f90
deleted file mode 100644
index 3c65d19d4e..0000000000
--- a/lib/mesont/TubePotBase.f90
+++ /dev/null
@@ -1,306 +0,0 @@
-! ------------ ----------------------------------------------------------
-!   LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
-!   https://www.lammps.org/ Sandia National Laboratories
-!   LAMMPS development team: developers@lammps.org
-!
-!   Copyright (2003) Sandia Corporation.  Under the terms of Contract
-!   DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains
-!   certain rights in this software.  This software is distributed under
-!   the GNU General Public License.
-!
-!   See the README file in the top-level LAMMPS directory.
-!
-!   Contributing author: Alexey N. Volkov, UA, avolkov1@ua.edu
-!-------------------------------------------------------------------------
-
-module TubePotBase !********************************************************************************
-!
-! Non-bonded pair interaction potential and transfer functions for atoms composing nanotubes.
-!
-!---------------------------------------------------------------------------------------------------
-!
-! Intel Fortran
-!
-! Alexey N. Volkov, University of Alabama, avolkov1@ua.edu, Version 09.01, 2017
-!
-!---------------------------------------------------------------------------------------------------
-!
-! This module contains basic parameters for all modules involved into calculations of tubular
-! potentials.
-!
-! It includes definitions of
-!   -- TPBU, Lennard-Jones (12-6) potential
-!   -- TPBQ, Transfer function
-!
-! All default values are adjusted for non-bonded carbon-carbon interaction in carbon nanotubes.
-!
-!***************************************************************************************************
-
-use TPMLib
-use iso_c_binding, only : c_int, c_double, c_char
-implicit none
-
-!---------------------------------------------------------------------------------------------------
-! Constants
-!---------------------------------------------------------------------------------------------------
-
-        ! Types of the potential with respect to the breathing mode
-        integer(c_int), parameter            :: TP_POT_MONO_R           = 0
-        integer(c_int), parameter            :: TP_POT_POLY_R           = 1
-
-        ! Maximal number of elements in corresponding tables
-        integer(c_int), parameter            :: TPBNMAX                 = 2001
-
-        ! Numerical constants
-        real(c_double), parameter               :: TPbConstD            = 5.196152422706632d+00 ! = 3.0**1.5
-
-        ! Mass of C atom
-        real(c_double), parameter               :: TPBMc                = 12.0107d+00            ! (Da)
-
-        ! Parameters of the Van der Waals interaction between carbon atoms in graphene sheets, see
-        ! Stuart S.J., Tutein A.B., Harrison J.A., J. Chem. Phys. 112(14), 2000
-        real(c_double), parameter               :: TPBEcc               = 0.00284d+00           ! (eV)
-        real(c_double), parameter               :: TPBScc               = 3.4d+00               ! (A)
-
-        ! Lattice parameter and surface number density of atoms for a graphene sheet, see
-        ! Dresselhaus et al, Carbon 33(7), 1995
-        real(c_double), parameter               :: TPBAcc               = 1.421d+00             ! (A)
-        real(c_double), parameter               :: TPBDcc               = 4.0d+00 / ( TPBConstD * TPBAcc * TPBAcc ) ! (1/A^2)
-
-        ! Specific heat of carbon nanotubes
-        real(c_double), parameter               :: TPBSHcc              = 600.0d+00 / K_MDCU    ! (eV/(Da*K))
-
-        ! Cutoff distances for the interactomic potential and transfer function.
-        ! Changes in these parameters can result in necessity to change some numerical parameters too.
-        real(c_double), parameter               :: TPBRmincc            = 0.001d+00 * TPBScc    ! (A)
-        real(c_double), parameter               :: TPBRcutoffcc         = 3.0d+00 * TPBScc      ! (A)
-        real(c_double), parameter               :: TPBRcutoff1cc        = 2.16d+00 * TPBScc     ! (A)
-
-        ! Parameters of the transfer function for non-bonded interaction between carbon atoms
-        real(c_double), parameter               :: TPBQScc              = 7.0d+00               ! (A)
-        real(c_double), parameter               :: TPBQRcutoff1cc       = 8.0d+00               ! (A)
-
-!---------------------------------------------------------------------------------------------------
-! Global variables
-!---------------------------------------------------------------------------------------------------
-
-        ! Set to .true. to generate diagnostic and warning messages
-        logical         :: TPErrCheck           = .true.
-        character*512   :: TPErrMsg             = ''
-
-        real(c_double)  :: TPGeomPrec           = 1.0d-06       ! Geometric precision, see TPInt
-        integer(c_int)  :: TPPotType            = TP_POT_MONO_R ! Type of the potential with respect to the breathing mode
-
-        ! Parameters of the interatomic potential and atoms distribution at the surface
-        ! of the tube
-
-        real(c_double)  :: TPBM                 = TPBMc          ! Mass of an atom (Da)
-        real(c_double)  :: TPBE                 = TPBEcc         ! Depth of the energy well in (12-6) LJ interatomic potential (eV)
-        real(c_double)  :: TPBS                 = TPBScc         ! Sigma parameter of (12-6) LJ interatomic potential (A)
-        real(c_double)  :: TPBD                 = TPBDcc         ! Numerical density of atoms at the tube surface (1/A^2)
-        real(c_double)  :: TPBSH                = TPBSHcc        ! Specific heat (eV/(Da*K))
-
-        real(c_double)  :: TPBRmin              = TPBRmincc      ! (A)
-        real(c_double)  :: TPBRcutoff           = TPBRcutoffcc   ! (A)
-        real(c_double)  :: TPBRcutoff1          = TPBRcutoff1cc  ! (A)
-
-        ! Parameters of the transfer function
-
-        real(c_double)  :: TPBQS                = TPBQScc       ! Sigma parameter of the transfer function (A)
-        real(c_double)  :: TPBQRcutoff1         = TPBQRcutoff1cc! (A)
-
-        ! Auxiliary variables
-
-        real(c_double)  :: TPBE4, TPBE24, TPBDRcutoff, TPBQDRcutoff
-        real(c_double)  :: TPBQR0                               ! Constant-value distance for the transfer function (A)
-
-        ! Table of inter-particle potential, force, and transfer function
-
-        integer(c_int)                          :: TPBN                 = TPBNMAX
-        real(c_double)                          :: TPBDR
-        real(c_double), dimension(0:TPBNMAX-1)  :: TPBQ
-        real(c_double), dimension(0:TPBNMAX-1)  :: TPBU, TPBdUdR
-
-contains !******************************************************************************************
-
-        integer(c_int) function TPBsizeof () !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
-                TPBsizeof = 8 * ( size ( TPBQ ) + size ( TPBU ) + size ( TPBdUdR ) )
-        end function TPBsizeof !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
-
-!---------------------------------------------------------------------------------------------------
-! Interpolation
-!---------------------------------------------------------------------------------------------------
-
-        real(c_double) function TPBQInt0 ( R ) !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
-        real(c_double), intent(in)      :: R
-        !-------------------------------------------------------------------------------------------
-        real(c_double)                  :: Z, RR
-        integer(c_int)                  :: i
-        !-------------------------------------------------------------------------------------------
-                if ( R < TPBRmin ) then
-                        !call PrintStdLogMsg ( TPErrMsg )
-                        !write ( TPErrMsg, '(a,e20.10,a,e20.10)' ) ': R < Rmin: R=', R, ', Rmin=', TPBRmin
-                        !call Error ( 'TPBQInt0', TPErrMsg )
-                elseif ( R > TPBRcutoff ) then
-                        TPBQInt0 = 0.0d+00
-                        return
-                endif
-                RR   = ( R - TPBRmin ) / TPBDR
-                i    = int ( RR )
-                RR   = RR - i
-                Z    = 1.0d+00 - RR
-                TPBQInt0 = TPBQ(i) * Z + TPBQ(i+1) * RR
-        end function TPBQInt0 !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
-
-        real(c_double) function TPBUInt0 ( R ) !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
-        real(c_double), intent(in)      :: R
-        !-------------------------------------------------------------------------------------------
-        real(c_double)                  :: Z, RR
-        integer(c_int)                  :: i
-        !-------------------------------------------------------------------------------------------
-                if ( R < TPBRmin ) then
-                        !call PrintStdLogMsg ( TPErrMsg )
-                        !write ( TPErrMsg, '(a,e20.10,a,e20.10)' ) ': R < Rmin: R=', R, ', Rmin=', TPBRmin
-                        !call Error ( 'TPBUInt0', TPErrMsg )
-                elseif ( R > TPBRcutoff ) then
-                        TPBUInt0 = 0.0d+00
-                        return
-                endif
-                RR   = ( R - TPBRmin ) / TPBDR
-                i    = int ( RR )
-                RR   = RR - i
-                Z    = 1.0d+00 - RR
-                TPBUInt0 = TPBU(i) * Z + TPBU(i+1) * RR
-        end function TPBUInt0 !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
-
-        subroutine TPBUInt1 ( U, dUdR, R ) !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
-        real(c_double), intent(out)     :: U, dUdR
-        real(c_double), intent(in)      :: R
-        !-------------------------------------------------------------------------------------------
-        real(c_double)                  :: Z, RR
-        integer(c_int)                  :: i
-        !-------------------------------------------------------------------------------------------
-                if ( R < TPBRmin ) then
-                        !call PrintStdLogMsg ( TPErrMsg )
-                        !write ( TPErrMsg, '(a,e20.10,a,e20.10)' ) ': R < Rmin: R=', R, ', Rmin=', TPBRmin
-                        !call Error ( 'TPBUInt1', TPErrMsg )
-                elseif ( R > TPBRcutoff ) then
-                        TPBU = 0.0d+00
-                        TPBdUdR = 0.0d+00
-                        return
-                endif
-                RR   = ( R - TPBRmin ) / TPBDR
-                i    = int ( RR )
-                RR   = RR - i
-                Z    = 1.0d+00 - RR
-                U    = TPBU(i) * Z + TPBU(i+1) * RR
-                dUdR = TPBdUdR(i) * Z + TPBdUdR(i+1) * RR
-        end subroutine TPBUInt1 !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
-
-!---------------------------------------------------------------------------------------------------
-! Calculation
-!---------------------------------------------------------------------------------------------------
-
-        real(c_double) function TPBQCalc0 ( R ) !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
-        real(c_double), intent(in)      :: R
-        !-------------------------------------------------------------------------------------------
-        real(c_double)                  :: Z, t, S
-        !-------------------------------------------------------------------------------------------
-                if ( R > TPBRcutoff ) then
-                        TPBQCalc0 = 0.0d+00
-                else if ( R < TPBQR0 ) then
-                        TPBQCalc0 = 1.0d+00
-                else
-                        Z = TPBQS / R
-                        Z = Z * Z * Z
-                        Z = Z * Z
-                        TPBQCalc0 = 4.0d+00 * ( 1.0d+00 - Z ) * Z
-                        if ( R > TPBQRcutoff1 ) then
-                                t = ( R - TPBQRcutoff1 ) / TPBQDRcutoff
-                                S = 1.0d+00 - t * t * ( 3.0d+00 - 2.0d+00 * t )
-                                TPBQCalc0 = TPBQCalc0 * S
-                        endif
-                endif
-        end function TPBQCalc0 !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
-
-        real(c_double) function TPBUCalc0 ( R ) !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
-        real(c_double), intent(in)      :: R
-        !-------------------------------------------------------------------------------------------
-        real(c_double)                  :: Z, t, S
-        !-------------------------------------------------------------------------------------------
-                if ( R > TPBRcutoff ) then
-                        TPBUCalc0 = 0.0d+00
-                else
-                        Z = TPBS / R
-                        Z = Z * Z * Z
-                        Z = Z * Z
-                        TPBUCalc0 = TPBE4 * ( Z - 1.0d+00 ) * Z
-                        if ( R > TPBRcutoff1 ) then
-                                t = ( R - TPBRcutoff1 ) / TPBDRcutoff
-                                S = 1.0d+00 - t * t * ( 3.0d+00 - 2.0d+00 * t )
-                                TPBUCalc0 = TPBUCalc0 * S
-                        endif
-                endif
-        end function TPBUCalc0 !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
-
-        subroutine TPBUCalc1 ( U, dUdR, R ) !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
-        real(c_double), intent(out)     :: U, dUdR
-        real(c_double), intent(in)      :: R
-        real(c_double)                  :: Z, t, S, dSdR
-        !-------------------------------------------------------------------------------------------
-                if ( R > TPBRcutoff ) then
-                        U    = 0.0d+00
-                        dUdR = 0.0d+00
-                else
-                        Z    = TPBS / R
-                        Z    = Z * Z * Z
-                        Z    = Z * Z
-                        U    = TPBE4 * ( Z - 1.0d+00 ) * Z
-                        dUdR = TPBE24 * ( 2.0d+00 * Z - 1.0d+00 ) * Z / R
-                        if ( R > TPBRcutoff1 ) then
-                                t    = ( R - TPBRcutoff1 ) / TPBDRcutoff
-                                S    = 1.0d+00 - t * t * ( 3.0d+00 - 2.0d+00 * t )
-                                dSdR = 6.0d+00 * t * ( t - 1.0d+00 ) / TPBDRcutoff
-                                dUdR = dUdR * S + U * dSdR
-                                U     = U * S
-                        endif
-                endif
-        end subroutine TPBUCalc1 !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
-
-        subroutine TPBSegmentForces ( F1, F2, F, M, Laxis, L ) !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
-        real(c_double), dimension(0:2), intent(out)     :: F1, F2
-        real(c_double), dimension(0:2), intent(in)      :: F, M, Laxis
-        real(c_double), intent(in)                      :: L
-        !-------------------------------------------------------------------------------------------
-        real(c_double), dimension(0:2)                  :: FF, MM, FFF
-        !-------------------------------------------------------------------------------------------
-                FF = 0.5d+00 * F
-                MM = M / L
-                call V3_V3xxV3 ( FFF, MM, Laxis )
-                F1 = FF - FFF
-                F2 = FF + FFF
-        end subroutine TPBSegmentForces !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
-
-!---------------------------------------------------------------------------------------------------
-! Initialization
-!---------------------------------------------------------------------------------------------------
-
-        subroutine TPBInit () !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
-        real(c_double)          :: R
-        integer(c_int)       :: i
-        !-------------------------------------------------------------------------------------------
-                TPBE4 = 4.0d+00 * TPBE
-                TPBE24 = - 24.0d+00 * TPBE
-                TPBDRcutoff = TPBRcutoff - TPBRcutoff1
-                TPBQDRcutoff = TPBRcutoff - TPBQRcutoff1
-                TPBQR0 = TPBQS * 2.0d+00 ** ( 1.0d+00 / 6.0d+00 )
-                TPBDR = ( TPBRcutoff - TPBRmin ) / ( TPBN - 1 )
-                R = TPBRmin
-                do i = 0, TPBN - 1
-                        TPBQ(i) = TPBQCalc0 ( R )
-                        call TPBUCalc1 ( TPBU(i), TPBdUdR(i), R )
-                        R = R + TPBDR
-                enddo
-        end subroutine TPBInit !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
-
-end module TubePotBase !****************************************************************************
diff --git a/lib/mesont/TubePotMono.f90 b/lib/mesont/TubePotMono.f90
deleted file mode 100644
index 049b5bcb26..0000000000
--- a/lib/mesont/TubePotMono.f90
+++ /dev/null
@@ -1,1697 +0,0 @@
-! ------------ ----------------------------------------------------------
-!   LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
-!   https://www.lammps.org/ Sandia National Laboratories
-!   LAMMPS development team: developers@lammps.org
-!
-!   Copyright (2003) Sandia Corporation.  Under the terms of Contract
-!   DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains
-!   certain rights in this software.  This software is distributed under
-!   the GNU General Public License.
-!
-!   See the README file in the top-level LAMMPS directory.
-!
-!   Contributing author: Alexey N. Volkov, UA, avolkov1@ua.edu
-!-------------------------------------------------------------------------
-
-module TubePotMono !********************************************************************************
-!
-! Approximate tubular potentials and transfer functions for mono-radius tubes.
-!
-!---------------------------------------------------------------------------------------------------
-!
-! Intel Fortran
-!
-! Alexey N. Volkov, University of Alabama, avolkov1@ua.edu, Version 13.00, 2020
-!
-!---------------------------------------------------------------------------------------------------
-!
-! Four potentials and transfer functions are calculated in this module:
-!
-! 1. SSTP (segment - semi-infinite tube parallel): Linear density of the potential along
-!    the segment axis which is produced by a parallel semi-infinite tube. 2D tables for this potential
-!    are generated at initialization or can be loaded from a file.
-!
-! 2. STP (segment - tube parallel): Linear density of the potential along the segment axis
-!    which is produced by a parallel infinite tubes. This is only a particular case of the SSTP potential,
-!    but it is considered separately for computational efficiency. 1D tables of this potential are taken
-!    from 2D tables of SSTP potential.
-!
-! 3. SST (segment - semi-infinite tube): Potential for a segment produced by an arbitrary-
-!    oriented semi-infinite tube. This potential can not be kept in 2D tables, therefore, all
-!    data are calculated 'on fly' with the help of SSTP potential and numerical integration along the
-!    segment axis
-!
-! 4. ST (segment - tube): Potential for a segment produced by an arbitrary-oriented
-!    infinitely long tube. 2D tables for this potential are generated at initialization or can be
-!    loaded from a file.
-!
-!***************************************************************************************************
-
-use TPMLib
-use TPMGeom
-use TubePotBase
-use TubePotTrue
-use LinFun2
-use Spline2
-use iso_c_binding, only : c_int, c_double, c_char
-implicit none
-
-!---------------------------------------------------------------------------------------------------
-! Constants
-!---------------------------------------------------------------------------------------------------
-
-        integer(c_int), parameter                    :: TPMNZMAX     = 129
-        integer(c_int), parameter                    :: TPMNEMAX     = 128
-
-        integer(c_int), parameter                    :: TPMNHMAX     = 1001
-        integer(c_int), parameter                    :: TPMNXMAX     = 1001
-        integer(c_int), parameter                    :: TPMNMAX      = 1001
-
-!---------------------------------------------------------------------------------------------------
-! Global variables
-!---------------------------------------------------------------------------------------------------
-
-        integer(c_int)                               :: TPMStartMode = 1
-        character(len=512)                           :: TPMFile      = 'MESONT-TABTP.xrs'
-        integer(c_int)                               :: TPMUnitID    ! Unit for the tabulated potential file
-
-        integer(c_int)                               :: TPMNZ        = TPMNZMAX
-        integer(c_int)                               :: TPMNZ1       = TPMNZMAX - 1
-        integer(c_int)                               :: TPMNE        = TPMNEMAX
-        integer(c_int)                               :: TPMNE1       = TPMNEMAX - 1
-
-        integer(c_int)                               :: TPMNH        = TPMNHMAX
-        integer(c_int)                               :: TPMNH1       = TPMNHMAX - 1
-        integer(c_int)                               :: TPMNX        = TPMNXMAX
-        integer(c_int)                               :: TPMNX1       = TPMNXMAX - 1
-
-        integer                                      :: TPMChiIndM   ! Chirality index M
-        integer                                      :: TPMChiIndN   ! Chirality index N
-        real(c_double)                               :: TPMR1
-        real(c_double)                               :: TPMR2
-
-        real(c_double)                               :: TPMHmax
-        real(c_double)                               :: TPMDH
-
-        ! Parameters of empirical correction functions
-
-        integer(c_int)                               :: TPMAN        = 20
-        real(c_double)                               :: TPMAHmin
-        real(c_double)                               :: TPMAHmax
-        real(c_double)                               :: TPMADH
-        real(c_double), dimension(0:TPMNHMAX-1)      :: TPMAH, TPMAF, TPMAFxx
-
-        ! Fitting parameters that depend on the SWCNT chirality
-
-        real(c_double)                               :: TPMCaA       = 0.22d+00 ! 0.22 for (10,10) CNTs
-        real(c_double)                               :: TPMCeA       = 0.35d+00 ! 0.35 for (10,10) CNTs
-        real(c_double)                               :: TPMAHmin0    = 10.0d+00 ! 10.0 A for (10,10) CNTs
-
-        ! Parameters of SSTP integrator
-
-        real(c_double)                               :: TPMDE
-        real(c_double), dimension(0:TPMNEMAX-1)      :: TPMCE, TPMSE
-
-        ! Additional parameters for SSTP potential
-
-        real(c_double)                               :: TPMSSTPDelta = 0.25d+00
-        integer(c_int)                               :: TPMSSTPNH
-        integer(c_int)                               :: TPMSSTPNX
-
-        real(c_double)                               :: TPMSSTPX1
-        real(c_double)                               :: TPMSSTPXmax
-        real(c_double)                               :: TPMSSTPDX
-
-        real(c_double), dimension(0:TPMNHMAX-1,0:TPMNXMAX-1) :: TPMSSTPG
-        real(c_double), dimension(0:TPMNHMAX-1,0:TPMNXMAX-1) :: TPMSSTPF, TPMSSTPFxx, TPMSSTPFyy, TPMSSTPFxxyy
-        real(c_double), dimension(0:TPMNHMAX-1)      :: TPMSSTPH
-        real(c_double), dimension(0:TPMNXMAX-1)      :: TPMSSTPX
-
-        ! Additional parameters for STP potential
-
-        ! In calculations of this potential, some parameters of SSTP potential are also used.
-        ! In particular, STP potential has no its own integrator. All data comes from SSTP integrator.
-        ! It does not result in any computational inefficiency unless the STP potential is used without SSTP one.
-
-        integer(c_int)                               :: TPMNN        = 10
-        real(c_double), dimension(0:TPMNHMAX-1)      :: TPMSTPG
-        real(c_double), dimension(0:TPMNHMAX-1)      :: TPMSTPF, TPMSTPFxx
-
-        ! Parameters for ST potential
-
-        ! Minimum gap dh for ST-potential
-        real(c_double)                               :: TPMSTDelta   = 1.0d+00
-        ! Number of subdivisions for every grid step in ST-integrator
-        integer(c_int)                               :: TPMSTNXS     = 10
-        real(c_double)                               :: TPMSTXmax
-        real(c_double)                               :: TPMSTH1
-        real(c_double)                               :: TPMSTH2
-        real(c_double)                               :: TPMSTDH12
-
-        real(c_double), dimension(0:TPMNHMAX-1,0:TPMNXMAX-1) :: TPMSTG
-        real(c_double), dimension(0:TPMNHMAX-1,0:TPMNXMAX-1) :: TPMSTF, TPMSTFxx, TPMSTFyy, TPMSTFxxyy
-        real(c_double), dimension(0:TPMNHMAX-1) :: TPMSTH
-        real(c_double), dimension(0:TPMNXMAX-1) :: TPMSTX
-
-        ! Switching parameters
-
-        ! Height switch (at H=0 in SST-potential)
-        integer(c_int)                               :: TPMHSwitch   = 0             ! 1, use h-switch; 0, do not use the switch
-        real(c_double)                               :: TPMHS        = 3.0d+00       ! Switch height, Angstrom
-
-        ! Angle switch
-        integer(c_int)                               :: TPMASwitch   = 0             ! 1, use a-switch; 0, do not use the switch
-        real(c_double)                               :: TPMAS        = 3.0d+00       ! Switch angle, degree
-        real(c_double)                               :: TPMASMin
-        real(c_double)                               :: TPMASMax
-        real(c_double)                               :: TPMASDelta
-
-        ! These variables are used to print error message if intertube force filed fails
-        integer(c_int)                               :: Err_CNT1 = 0, Err_CNT1_Node = 0, Err_CNT2 = 0, &
-                                                        Err_CNT2_Node1 = 0, Err_CNT2_Node2 = 0, Err_EType = 0
-
-contains !******************************************************************************************
-
-        integer(c_int) function TPMsizeof () !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
-                TPMsizeof = 8 * ( size ( TPMAH ) + size ( TPMAF ) + size ( TPMAFxx ) &
-                        + size ( TPMCE ) + size ( TPMSE ) + size ( TPMSSTPG ) + size ( TPMSSTPF ) &
-                        + size ( TPMSSTPFxx ) + size ( TPMSSTPFyy ) + size ( TPMSSTPFxxyy ) &
-                        + size ( TPMSSTPH ) + size ( TPMSSTPX ) + size ( TPMSTPG ) + size ( TPMSTPF ) &
-                        + size ( TPMSTPFxx ) + size ( TPMSTG ) + size ( TPMSTF ) + size ( TPMSTFxx ) &
-                        + size ( TPMSTFyy ) + size ( TPMSTFxxyy ) + size ( TPMSTH ) + size ( TPMSTX ) )
-        end function TPMsizeof !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
-
-!---------------------------------------------------------------------------------------------------
-! Printing error message if intertube force field fails
-!---------------------------------------------------------------------------------------------------
-
-        subroutine PrintTPErrMsg () !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
-                !write ( TPErrMsg, fmt = '(a,i8,a,i8,a,i8,a,i8,a,i8,a,i1)' ) 'CNT ', Err_CNT1, ' [', &
-                !        Err_CNT1_Node,'] with CNT ', Err_CNT2, ' [', Err_CNT2_Node1, ', ', Err_CNT2_Node2, '] E=', Err_EType
-                !call PrintStdLogMsg ( TPErrMsg )
-        end subroutine PrintTPErrMsg !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
-
-!---------------------------------------------------------------------------------------------------
-! SSTP: Linear potential density for the tube interacting with parallel semi-infinite tube
-!---------------------------------------------------------------------------------------------------
-
-        subroutine TPMSSTPIntegrator ( Q, U, H, D ) !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
-        ! This function calculates the transfer function Q and potential U between an infinitely long
-        ! tube and a cross-section of another parallel tube for given height H and displacement D.
-        !-------------------------------------------------------------------------------------------
-        real(c_double), intent(out)     :: Q, U
-        real(c_double), intent(in)      :: H, D
-        !-------------------------------------------------------------------------------------------
-        integer(c_int)                  :: i, j, k
-        real(c_double)                  :: C, Zmin, Zmax, DZ, R1X, R1Y, R2X, R2Y, R2Z, R, Rcutoff2
-        !-------------------------------------------------------------------------------------------
-                Q = 0.0d+00
-                U = 0.0d+00
-                Zmin = D - TPBRcutoff
-                Zmax = D + TPBRcutoff
-                Rcutoff2 = TPBRcutoff * TPBRcutoff
-                if ( Zmin < 0.0d+00 ) Zmin = 0.0d+00
-                DZ = ( Zmax - Zmin ) / TPMNZ1
-                do i = 0, TPMNE1 ! Integration over the section of the first tube
-                        R1X = TPMR1 * TPMCE(i)
-                        R1Y = TPMR1 * TPMSE(i)
-                        do j = 0, TPMNE1 ! !Integration over the section of the second tube
-                                R2X = TPMR1 * TPMCE(j) + H
-                                R2Y = TPMR1 * TPMSE(j)
-                                R2Z = Zmin - D
-                                do k = 0, TPMNZ1 ! Integration over the length of the second tube
-                                        R = sqr ( R2X - R1X ) + sqr ( R2Y - R1Y ) + sqr ( R2Z )
-                                        if ( R < Rcutoff2 ) then
-                                                R = dsqrt ( R )
-                                                if ( k == 0 .or. k == TPMNZ1 ) then
-                                                        Q = Q + 0.5d+00 * TPBQCalc0 ( R )
-                                                        U = U + 0.5d+00 * TPBUCalc0 ( R )
-                                                else
-                                                        Q = Q + TPBQCalc0 ( R )
-                                                        U = U + TPBUCalc0 ( R )
-                                                end if
-                                        end if
-                                        R2Z = R2Z + DZ
-                                end do
-                        end do
-                end do
-                C = sqr ( TPMDE ) * TPMR1 * TPMR2 * DZ
-                Q = Q * C
-                U = U * sqr ( TPBD ) * C
-        end subroutine TPMSSTPIntegrator !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
-
-        integer(c_int) function TPMSSTPInt0 ( Q, U, H, X ) !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
-        ! This function returns the transfer function Q and potential U for the SSTP potential
-        ! calculated by interpolation in the table without switch.
-        !-------------------------------------------------------------------------------------------
-        real(c_double), intent(out)     :: Q, U
-        real(c_double), intent(in)      :: H, X
-        !-------------------------------------------------------------------------------------------
-        integer(c_int)                  :: i, j
-        real(c_double)                  :: XX
-        !-------------------------------------------------------------------------------------------
-                i = 1 + int ( H / TPMDH )
-                j = 1 + int ( ( X + TPMSSTPXMax ) / TPMSSTPDX )
-                if ( ( i < TPMSSTPNH ) .and. ( j > TPMSSTPNX ) ) then
-                        !call PrintTPErrMsg ()
-                        !!call PrintStdLogMsg (TPErrMsg )
-                        !write ( TPErrMsg, '(a,e20.10,a,e20.10)' ) 'Tubes intersect each other: H=', H, ', X=', X
-                        !call Error ( 'TPMSSTPInt0', TPErrMsg )
-                end if
-                if ( i > TPMNH1 ) then
-                        Q = 0.0d+00
-                        U = 0.0d+00
-                        TPMSSTPInt0 = 0
-                        return
-                end if
-                if ( X .le. - TPMSSTPXmax ) then
-                        j  = 1
-                        XX = - TPMSSTPXmax
-                else if ( X .ge. TPMSSTPXmax ) then
-                        j  = TPMNX1
-                        XX = TPMSSTPXmax
-                else
-                        XX = X
-                end if
-                Q = CalcLinFun2_0 ( i, j, H, XX, TPMNH, TPMNX, TPMSSTPH, TPMSSTPX, TPMSSTPG )
-                U = CalcSpline2_0 ( i, j, H, XX, TPMNH, TPMNX, TPMSSTPH, TPMSSTPX, TPMSSTPF, TPMSSTPFxx, TPMSSTPFyy, TPMSSTPFxxyy )
-                TPMSSTPInt0 = 1
-        end function TPMSSTPInt0 !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
-
-        integer(c_int) function TPMSSTPInt0S ( Q, U, H, X ) !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
-        ! This function returns the transfer function Q and potential U for the SSTP potential
-        ! calculated by interpolation in the table and switch to the case of zero H.
-        !-------------------------------------------------------------------------------------------
-        real(c_double), intent(out)     :: Q, U
-        real(c_double), intent(in)      :: H, X
-        !-------------------------------------------------------------------------------------------
-        integer(c_int)               :: IntSign
-        real(c_double)                  :: t, W, Qa, Ua
-        !-------------------------------------------------------------------------------------------
-                if ( TPMHSwitch == 0 ) then
-                        TPMSSTPInt0S = TPMSSTPInt0 ( Q, U, H, X )
-                else
-                        if ( H > TPMHS ) then
-                                TPMSSTPInt0S = TPMSSTPInt0 ( Q, U, H, X )
-                        else
-                                t = H / TPMHS
-                                W = 1.0d+00 - t * t * ( 3.0d+00 - 2.0d+00 * t )
-                                TPMSSTPInt0S = TPMSSTPInt0 ( Q, U, H, X )
-                                IntSign = TPMSSTPInt0 ( Qa, Ua, 0.0d+00, X )
-                                Q = W * Qa + ( 1.0d+00 - W ) * Q
-                                U = W * Ua + ( 1.0d+00 - W ) * U
-                        end if
-                end if
-        end function TPMSSTPInt0S !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
-
-        integer(c_int) function TPMSSTPInt1 ( Q, U, Uh, Ux, H, X ) !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
-        ! This function returns the transfer function Q, potential U, and derivatives Uh=dU/dH and
-        ! Ux=dU/dX for the SSTP potential calculated by interpolation in the table without switch
-        !-------------------------------------------------------------------------------------------
-        real(c_double), intent(out)     :: Q, U, Uh, Ux
-        real(c_double), intent(in)      :: H, X
-        !-------------------------------------------------------------------------------------------
-        integer(c_int)                  :: i, j
-        real(c_double)                  :: XX
-        !-------------------------------------------------------------------------------------------
-                i = 1 + int ( H / TPMDH )
-                j = 1 + int ( ( X + TPMSSTPXMax ) / TPMSSTPDX )
-                if ( ( i < TPMSSTPNH ) .and. ( j > TPMSSTPNX ) ) then
-                        !call PrintTPErrMsg ()
-                        !!call PrintStdLogMsg ( TPErrMsg )
-                        !write ( TPErrMsg, '(a,e20.10,a,e20.10)' ) 'Tubes intersect each other: H=', H, ', X=', X
-                        !call Error ( 'TPMSSTPInt1', TPErrMsg )
-                end if
-                if ( i > TPMNH1 ) then
-                        Q = 0.0d+00
-                        U = 0.0d+00
-                        Uh = 0.0d+00
-                        Ux = 0.0d+00
-                        TPMSSTPInt1 = 0
-                        return
-                end if
-                if ( X .le. - TPMSSTPXmax ) then
-                        j  = 1
-                        XX = - TPMSSTPXmax
-                else if ( X .ge. TPMSSTPXmax ) then
-                        j  = TPMNX1
-                        XX = TPMSSTPXmax
-                else
-                        XX = X
-                end if
-                Q = CalcLinFun2_0 ( i, j, H, XX, TPMNH, TPMNX, TPMSSTPH, TPMSSTPX, TPMSSTPG )
-                call CalcSpline2_1 ( U, Uh, Ux, i, j, H, XX, TPMNH, TPMNX, TPMSSTPH, TPMSSTPX, TPMSSTPF, &
-                        TPMSSTPFxx, TPMSSTPFyy, TPMSSTPFxxyy )
-                TPMSSTPInt1 = 1
-        end function TPMSSTPInt1 !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
-
-        integer(c_int) function TPMSSTPInt1S ( Q, U, Uh, Ux, H, X ) !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
-        ! This function returns the transfer function Q, potential U, and derivatives Uh=dU/dH and
-        ! Ux=dU/dX for the SSTP potential calculated by interpolation in the table and switch to
-        ! the case of zero H.
-        !-------------------------------------------------------------------------------------------
-        real(c_double), intent(out)     :: Q, U, Uh, Ux
-        real(c_double), intent(in)      :: H, X
-        !-------------------------------------------------------------------------------------------
-        integer(c_int)                  :: IntSign
-        real(c_double)                  :: t, W, W1, dWdH, Qa, Ua, Uha, Uxa
-        !-------------------------------------------------------------------------------------------
-                if ( TPMHSwitch == 0 ) then
-                        TPMSSTPInt1S = TPMSSTPInt1 ( Q, U, Uh, Ux, H, X )
-                else
-                        if ( H > TPMHS ) then
-                                TPMSSTPInt1S = TPMSSTPInt1 ( Q, U, Uh, Ux, H, X )
-                        else
-                                t = H / TPMHS
-                                W = 1.0d+00 - t * t * ( 3.0d+00 - 2.0d+00 * t )
-                                dWdH = 6.0d+00 * t * ( t - 1.0d+00 ) / TPMHS
-                                TPMSSTPInt1S = TPMSSTPInt1 ( Q, U, Uh, Ux, H, X )
-                                IntSign = TPMSSTPInt1 ( Qa, Ua, Uha, Uxa, 0.0d+00, X )
-                                W1 = 1.0d+00 - W
-                                Q = W * Qa + W1 * Q
-                                U = W * Ua + W1 * U
-                                Uh = W1 * Uh + ( Ua - U ) * dWdH
-                                Ux = W * Uxa + W1 * Ux
-                        end if
-                end if
-        end function TPMSSTPInt1S !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
-
-        subroutine TPMSSTPWrite () !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
-        ! This function writes the table of the SSTP potential to a disk file.
-        !-------------------------------------------------------------------------------------------
-        integer(c_int) :: i, j
-        !-------------------------------------------------------------------------------------------
-                write ( unit = TPMUnitID, fmt = '(4i8)' ) TPMChiIndM, TPMChiIndN, TPMNH1, TPMNX1
-                do i = 0, TPMNH1
-                        do j = 0, TPMNX1
-                                if ( ( i .ge. TPMSSTPNH ) .or. ( j .le. TPMSSTPNX ) ) &
-                                        write ( unit = TPMUnitID, fmt = '(2e26.17)' ) TPMSSTPG(i,j), TPMSSTPF(i,j)
-                        end do
-                end do
-        end subroutine TPMSSTPWrite !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
-
-        subroutine TPMSSTPRead () !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
-        ! This function reads the table of the SSTP potential from a disk file.
-        !-------------------------------------------------------------------------------------------
-        integer(c_int)       :: i, j
-        integer(c_int)       :: iTPMChiIndM, iTPMChiIndN, iTPMNH1, iTPMNX1
-        !-------------------------------------------------------------------------------------------
-                read ( unit = TPMUnitID, fmt = '(4i8)' ) iTPMChiIndM, iTPMChiIndN, iTPMNH1, iTPMNX1
-                if ( iTPMChiIndM .NE. TPMChiIndM .OR. iTPMChiIndN .NE. TPMChiIndN ) then
-                        print *, 'ERROR in [TPMSSTPRead]: iTPMChiIndM .NE. TPMChiIndM .OR. iTPMChiIndN .NE. TPMChiIndN'
-                        stop
-                end if
-                if ( iTPMNH1 .NE. TPMNH1 .OR. iTPMNX1 .NE. TPMNX1 ) then
-                        print *, 'ERROR in [TPMSSTPRead]: iTPMNH1 .NE. TPMNH1 .OR. iTPMNX1 .NE. TPMNX1'
-                        stop
-                end if
-                do i = 0, TPMNH1
-                        do j = 0, TPMNX1
-                                if ( ( i .ge. TPMSSTPNH ) .or. ( j .le. TPMSSTPNX ) ) &
-                                        read ( unit = TPMUnitID, fmt = '(2e26.17)' ) TPMSSTPG(i,j), TPMSSTPF(i,j)
-                        end do
-                end do
-        end subroutine TPMSSTPRead !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
-
-        subroutine TPMSSTPInit () !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
-        ! This function calculates the table of the SSTP potential.
-        !-------------------------------------------------------------------------------------------
-        integer(c_int)          :: i, j
-        real(c_double)          :: E
-        character(c_char)       :: Msg
-        real(c_double), dimension(0:TPMNMAX-1) :: FF, DD, MM, K0, K1, K2
-        !-------------------------------------------------------------------------------------------
-                TPMDE = M_2PI / TPMNE
-                E = 0.0d+00
-                do i = 0, TPMNE1
-                        TPMCE(i) = cos ( E )
-                        TPMSE(i) = sin ( E )
-                        E = E + TPMDE
-                end do
-                do i = 0, TPMNH1
-                        TPMSSTPH(i) = TPMDH * i
-                end do
-                TPMSSTPX1 = - 2.0d+00 * TPMSSTPDelta
-                TPMSSTPXmax = TPBRcutoff + TPMSSTPDelta
-                TPMSSTPDX = 2.0 * TPMSSTPXmax / TPMNX1
-                do j = 0, TPMNX1
-                        TPMSSTPX(j) = - TPMSSTPXmax + TPMSSTPDX * j
-                end do
-                TPMSSTPNH = 1 + int ( ( TPMR1 + TPMR2 + TPMSSTPDelta ) / TPMDH )
-                TPMSSTPNX = int ( ( TPMSSTPXMax + TPMSSTPX1 ) / TPMSSTPDX ) - 1
-                if ( TPMStartMode == 0 ) then
-                        do i = 0, TPMNH1
-                                do j = 0, TPMNX1
-                                        if ( ( i .ge. TPMSSTPNH ) .or. ( j .le. TPMSSTPNX ) ) then
-                                                call TPMSSTPIntegrator ( TPMSSTPG(i,j), TPMSSTPF(i,j), TPMSSTPH(i), TPMSSTPX(j) )
-                                                print '(2i5,a,e20.10,a,e20.10,a,e20.10,a,e20.10)', i, j, ' H=', TPMSSTPH(i), &
-                                                        ', X=', TPMSSTPX(j), ', Q=', TPMSSTPG(i,j), ', U=', TPMSSTPF(i,j)
-                                        end if
-                                end do
-                        end do
-                        call TPMSSTPWrite ()
-                else
-                        call TPMSSTPRead ()
-                end if
-                call CreateSpline2Ext ( 3, 3, 3, 3, TPMNH, TPMSSTPNH, TPMNX, TPMSSTPNX, TPMNMAX, TPMSSTPH, TPMSSTPX, &
-                        TPMSSTPF, TPMSSTPFxx, TPMSSTPFyy, TPMSSTPFxxyy, FF, MM, DD, K0, K1, K2 )
-        end subroutine TPMSSTPInit !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
-
-!---------------------------------------------------------------------------------------------------
-! STP potential for an infinite tube interacting with a parallel segment. No actual initialization
-! is necessary for this potential, since the data are taken from the table for the SSTP potential.
-!---------------------------------------------------------------------------------------------------
-
-        integer(c_int) function TPMSTPInt0 ( Q, U, H ) !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
-        ! This function returns the transfer function Q and potential U for the STP potential
-        ! calculated by interpolation in the table.
-        !-------------------------------------------------------------------------------------------
-        real(c_double), intent(out)     :: Q, U
-        real(c_double), intent(in)      :: H
-        !-------------------------------------------------------------------------------------------
-        integer(c_int)                  :: i
-        !-------------------------------------------------------------------------------------------
-                i = 1 + int ( H / TPMDH )
-                if ( i < TPMSSTPNH ) then
-                        !call PrintTPErrMsg ()
-                        !!call PrintStdLogMsg ( TPErrMsg )
-                        !write ( TPErrMsg, '(a,e20.10)' ) 'Tubes intersect each other: H=', H
-                        !call Error ( 'TPMSTPInt0', TPErrMsg )
-                end if
-                if ( H > TPMHmax ) then
-                        Q = 0.0d+00
-                        U = 0.0d+00
-                        TPMSTPInt0 = 0
-                        return
-                end if
-                if ( i == TPMNH ) i = TPMNH - 1
-                Q = CalcLinFun1_0 ( i, H, TPMNH, TPMSSTPH, TPMSTPG )
-                U = CalcSpline1_0 ( i, H, TPMNH, TPMSSTPH, TPMSTPF, TPMSTPFxx )
-                TPMSTPInt0 = 1
-        end function TPMSTPInt0 !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
-
-        integer(c_int) function TPMSTPInt1 ( Q, U, dUdH, H ) !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
-        ! This function returns the transfer function Q, potential U, and derivative dUdH for
-        ! the STP potential calculated by interpolation in the table.
-        !-------------------------------------------------------------------------------------------
-        real(c_double), intent(out)     :: Q, U, dUdH
-        real(c_double), intent(in)      :: H
-        integer(c_int)                  :: i
-        !-------------------------------------------------------------------------------------------
-                i = 1 + int ( H / TPMDH )
-                if ( i < TPMSSTPNH ) then
-                        !call PrintTPErrMsg ()
-                        !!call PrintStdLogMsg ( TPErrMsg )
-                        !write ( TPErrMsg, '(a,e20.10)' ) 'Tubes intersect each other: H=', H
-                        !call Error ( 'TPMSTPInt0', TPErrMsg )
-                end if
-                if ( H > TPMHmax ) then
-                        Q = 0.0d+00
-                        U = 0.0d+00
-                        dUdH = 0.0d+00
-                        TPMSTPInt1 = 0
-                        return
-                end if
-                Q = CalcLinFun1_0 ( i, H, TPMNH, TPMSSTPH, TPMSTPG )
-                call CalcSpline1_1 ( U, dUdH, i, H, TPMNH, TPMSSTPH, TPMSTPF, TPMSTPFxx )
-                TPMSTPInt1 = 1
-        end function TPMSTPInt1 !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
-
-        subroutine TPMSTPInit () !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
-        ! This function initializes the table of the STP potential
-        !-------------------------------------------------------------------------------------------
-                TPMSTPG(0:TPMNH1)   = TPMSSTPG(0:TPMNH1,TPMNX1)
-                TPMSTPF(0:TPMNH1)   = TPMSSTPF(0:TPMNH1,TPMNX1)
-                TPMSTPFxx(0:TPMNH1) = TPMSSTPFxx(0:TPMNH1,TPMNX1)
-        end subroutine TPMSTPInit !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
-
-!---------------------------------------------------------------------------------------------------
-! Fitting functions for the SST and ST potentials.
-! This correction functions are chosen empirically to improve accuracy of the SST and ST potentials.
-!---------------------------------------------------------------------------------------------------
-
-        subroutine TPMAInit ( X1_1, X1_2, X2_1, X2_2 ) !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
-        real(c_double), intent(in)              :: X1_1, X1_2, X2_1, X2_2
-        !-------------------------------------------------------------------------------------------
-        real(c_double), dimension(0:2)          :: R1_1, R1_2, R2_1, R2_2
-        real(c_double), dimension(0:2)          :: Fa, Ma
-        real(c_double)                          :: Qa, Ua, Qb, Ub, X, H, HH, Ucoeff, Uamin, Ubmin
-        integer(c_int)                          :: i, j, IntSign
-        real(c_double), dimension(0:TPMNHMAX-1) :: D, K0, K1, K2
-        integer(c_int)                          :: iTPMChiIndM, iTPMChiIndN, iTPMAN
-        !-------------------------------------------------------------------------------------------
-                TPMAHmin = TPMR1 + TPMR2 + TPMSTDelta
-                TPMAHmax = TPMR1 + TPMR2 + 0.95d+00 * TPBRcutoff
-                TPMADH = ( TPMAHmax - TPMAHmin ) / ( TPMAN - 1 )
-                if ( TPMStartMode == 1 ) then
-                        read ( unit = TPMUnitID, fmt = '(4i8)' ) iTPMChiIndM, iTPMChiIndN, iTPMAN
-                        if ( iTPMChiIndM .NE. TPMChiIndM .OR. iTPMChiIndN .NE. TPMChiIndN ) then
-                                print *, 'ERROR in [TPMAInit]: iTPMChiIndM .NE. TPMChiIndM .OR. iTPMChiIndN .NE. TPMChiIndN'
-                                stop
-                        end if
-                        if ( iTPMAN .NE. TPMAN ) then
-                                print *, 'ERROR in [TPMAInit]: iTPMAN .NE. TPMAN'
-                                stop
-                        end if
-                        do i = 0, TPMAN - 1
-                                TPMAH(i) = TPMAHmin + i * TPMADH
-                                read ( unit = TPMUnitID, fmt = * ) TPMAF(i)
-                        end do
-                        call CreateSpline1 ( 3, 3, TPMAN, TPMAH, TPMAF, TPMAFxx, D, K0, K1, K2 )
-                        return
-                end if
-                call TPTInit ( TPMR1, TPMR2, TPTNXMAX, TPTNEMAX )
-                do i = 0, TPMAN - 1
-                        TPMAH(i) = TPMAHmin + i * TPMADH
-                        call TPTGetEnds ( R1_1, R1_2, R2_1, R2_2, X1_1, X1_2, X2_1, X2_2, TPMAH(i), M_PI_2 )
-                        X = - ( X1_2 - X1_1 ) / 2.0d+00
-                        do j = 0, ( TPTNXMAX - 1 ) / 2
-                                HH = sqrt ( TPMAH(i) * TPMAH(i) + sqr ( X * sin ( M_PI_2 ) ) )
-                                IntSign = TPMSTPInt0 ( Qb, Ub, HH )
-                                call TPTSetSegPosition2 ( TPTSeg1, R1_1, R1_2 )
-                                call TPTSetSegPosition2 ( TPTSeg2, R2_1, R2_2 )
-                                IntSign = TPTSectionPotential ( Qa, Ua, Fa, Ma, TPTSeg1, j, TPTSeg2 )
-                                if ( j == 0 ) then
-                                        Uamin = Ua
-                                        Ubmin = Ub
-                                else
-                                        if ( Ua < Uamin ) then
-                                                Uamin = Ua
-                                        end if
-                                        if ( Ub < Ubmin ) then
-                                                Ubmin = Ub
-                                        end if
-                                end if
-                                X = X + TPTSeg1%DX
-                        end do
-                        TPMAF(i) = Uamin / Ubmin
-                end do
-                write ( unit = TPMUnitID, fmt = '(4i8)' ) TPMChiIndM, TPMChiIndN, TPMAN
-                do i = 0, TPMAN - 1
-                        write ( unit = TPMUnitID, fmt = * ) TPMAF(i)
-                end do
-                call CreateSpline1 ( 3, 3, TPMAN, TPMAH, TPMAF, TPMAFxx, D, K0, K1, K2 )
-        end subroutine TPMAInit !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
-
-        real(c_double) function TPMA0 ( H ) !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
-        real(c_double), intent(in)      :: H
-        !-------------------------------------------------------------------------------------------
-        integer(c_int)                  :: i
-        real(c_double)                  :: A0, t, S
-        !-------------------------------------------------------------------------------------------
-                if ( H > TPMAHmax ) then
-                        TPMA0 = 1.0d+00
-                        return
-                else if ( H < TPMAHmin ) then
-                        if ( H < TPMAHmin0 ) then
-                                TPMA0 = 1.5d+00
-                                return
-                        end if
-                        A0   = 1.5d+00
-                        t    = ( H - TPMAHmin0 ) / TPMAHmin
-                        S    = 1.0d+00 - t * t * ( 3.0d+00 - 2.0d+00 * t )
-                        TPMA0 = ( 1.0d+00 - S ) * CalcSpline1_0 ( 1, H, TPMAN, TPMAH, TPMAF, TPMAFxx ) + A0 * S
-                        return
-                end if
-                i = 1 + int ( ( H - TPMAHmin ) / TPMADH )
-                TPMA0 = CalcSpline1_0 ( i, H, TPMAN, TPMAH, TPMAF, TPMAFxx )
-        end function TPMA0 !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
-
-        subroutine TPMA1 ( A, Ah, H ) !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
-        real(c_double), intent(out)     :: A, Ah
-        real(c_double), intent(in)      :: H
-        !-------------------------------------------------------------------------------------------
-        integer(c_int)                  :: i
-        real(c_double)                  :: A0, t, S, dSdH
-        !-------------------------------------------------------------------------------------------
-                if ( H > TPMAHmax ) then
-                        A = 1.0d+00
-                        Ah = 0.0d+00
-                        return
-                else if ( H < TPMAHmin ) then
-                        if ( H < TPMAHmin0 ) then
-                                A = 1.5d+00
-                                Ah = 0.0d+00
-                                return
-                        end if
-                        A0   = 1.5d+00
-                        t    = ( H - TPMAHmin0 ) / TPMAHmin
-                        S    = 1.0d+00 - t * t * ( 3.0d+00 - 2.0d+00 * t )
-                        dSdH = 6.0d+00 * t * ( t - 1.0d+00 ) / TPMAHmin
-                        call CalcSpline1_1 ( A, Ah, 1, H, TPMAN, TPMAH, TPMAF, TPMAFxx )
-                        Ah = Ah * ( 1.0d+00 - S ) + dSdH * ( A0 - A )
-                        A  = A * ( 1.0d+00 - S ) + A0 * S
-                        return
-                end if
-                i = 1 + int ( ( H - TPMAHmin ) / TPMADH )
-                call CalcSpline1_1 ( A, Ah, i, H, TPMAN, TPMAH, TPMAF, TPMAFxx )
-        end subroutine TPMA1 !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
-
-        real(c_double) function TPMCu0 ( H, cosA, sinA ) !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
-        ! This function returns the correction function for the magnitude of the potential.
-        !-------------------------------------------------------------------------------------------
-        real(c_double), intent(in)      :: H, cosA, sinA
-        !-------------------------------------------------------------------------------------------
-                TPMCu0 = 1.0d+00 + ( TPMA0 ( H ) - 1.0d+00 ) * sqr ( sinA )
-        end function TPMCu0 !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
-
-        subroutine TPMCu1 ( Cu, CuH, CuA, H, cosA, sinA ) !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
-        ! The subroutine calculates the correction function Cu for the magnitude of the potential and
-        ! its derivatives CuH and CuA.
-        !-------------------------------------------------------------------------------------------
-        real(c_double), intent(ouT)     :: Cu, CuH, CuA
-        real(c_double), intent(in)      :: H, cosA, sinA
-        real(c_double)                  :: AA, AAh, D
-        !-------------------------------------------------------------------------------------------
-                call TPMA1 ( AA, AAh, H )
-                D = sqr ( sinA )
-                AA = AA - 1.0d+00
-                Cu = 1.0d+00 + AA * D
-                CuH = AAh * D
-                CuA = AA * 2.0d+0 * cosA * sinA
-        end subroutine TPMCu1 !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
-
-        real(c_double) function TPMCa0 ( cosA, sinA ) !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
-        ! This function returns the correction function for the argument of the potential.
-        ! If correction is not necessary, it should return sinA.
-        !-------------------------------------------------------------------------------------------
-        real(c_double), intent(in)      :: cosA, sinA
-        !-------------------------------------------------------------------------------------------
-                TPMCa0 = sinA / ( 1.0d+00 - TPMCaA * sqr ( sinA ) )
-        end function TPMCa0 !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
-
-        subroutine TPMCa1 ( Ca, CaA, Ka, KaA, cosA, sinA ) !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
-        ! This subroutine calculates the correction function Cu for the depth of the potential well
-        ! and its derivatives CuH and CuA. If correction is not necessary, it returns Ca = sinA
-        ! and CaA = cosA.
-        !-------------------------------------------------------------------------------------------
-        real(c_double), intent(out)     :: Ca, CaA, Ka, KaA
-        real(c_double), intent(in)      :: cosA, sinA
-        !-------------------------------------------------------------------------------------------
-                Ka  = 1.0d+00 / ( 1.0d+00 - TPMCaA * sqr ( sinA ) )
-                Ca = sinA * Ka
-                KaA = 2.0d+00 * TPMCaA * sinA * cosA * sqr ( Ka )
-                CaA = cosA * Ka + sinA * KaA
-        end subroutine TPMCa1 !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
-
-        real(c_double) function TPMCe0 ( sinA ) !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
-        ! This function returns the correction function for the argument of the potential.
-        ! If correction is not necessary, it returns sinA.
-        !-------------------------------------------------------------------------------------------
-        real(c_double), intent(in)      :: sinA
-        !-------------------------------------------------------------------------------------------
-                TPMCe0 = 1.0d+00 - TPMCeA * sinA * sinA
-        end function TPMCe0 !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
-
-        subroutine TPMCe1 ( Ce, CeA, Ke, cosA, sinA ) !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
-        ! If correction is not necessary, it  returns Ce = 1 and CeA = 0.
-        !-------------------------------------------------------------------------------------------
-        real(c_double), intent(out)     :: Ce, CeA, Ke
-        real(c_double), intent(in)      :: cosA, sinA
-        !-------------------------------------------------------------------------------------------
-                Ce = 1.0d+00 - TPMCeA * sinA * sinA
-                CeA = - 2.0d+00 * TPMCeA * sinA * cosA
-                Ke = TPMCeA
-        end subroutine TPMCe1 !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
-
-!---------------------------------------------------------------------------------------------------
-! SST potential for the semi-infinite tube interacting with segment.
-! This potential does not need any initialization. All necessary data is taken from tables of the
-! SSTP potential.
-!---------------------------------------------------------------------------------------------------
-
-        integer(c_int) function TPMSSTPotential ( Q, U, X1, X2, H, cosA, D, N ) !!!!!!!!!!!!!!!!!!!!
-        ! This function calculates the transfer function Q and potential U applied to a segment
-        ! from a semi-infinite tube based on the numerical integration (trapezoidal rule) along the segment
-        ! axis for non-parallel objects.
-        ! Relative position of the nanotube and segment is given by axial positions of the segment
-        ! ends X1 and X2, height H, cosA= cos(A), where A is the cross-axis angle, and the displacement
-        ! D of a nanotube end.
-        !-------------------------------------------------------------------------------------------
-        real(c_double), intent(out)     :: Q, U
-        real(c_double), intent(in)      :: X1, X2, H, cosA, D
-        integer(c_int), intent(in)      :: N ! Number of nodes for numerical integration
-        real(c_double)                  :: sinA, Qs, Us, DX, X, XX, HH, Cu, Ca, Ce
-        integer(c_int)                  :: i
-        !-------------------------------------------------------------------------------------------
-                Q = 0.0d+00
-                U = 0.0d+00
-                DX = ( X2 - X1 ) / ( N - 1 )
-                X = X1
-                sinA = dsqrt ( 1.0d+00 - cosA * cosA )
-                Cu = TPMCu0 ( H, cosA, sinA )
-                Ca = TPMCa0 ( cosA, sinA )
-                Ce = TPMCe0 ( sinA )
-                TPMSSTPotential = 0
-                do i = 0, N - 1
-                        XX = X * cosA - Ce * D
-                        HH = sqrt ( H * H + sqr ( X * Ca ) )
-                        if ( TPMSSTPInt0S ( Qs, Us, HH, XX ) > 0 ) TPMSSTPotential = 1
-                        if ( i == 0 .or. i == N - 1 ) then
-                                Q = Q + 0.5d+00 * Qs
-                                U = U + 0.5d+00 * Us
-                        else
-                                Q = Q + Qs
-                                U = U + Us
-                        end if
-                        X = X + DX
-                end do
-                Q = Cu * Q * DX
-                U = Cu * U * DX
-        end function TPMSSTPotential !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
-
-        integer(c_int) function TPMSSTPotentialPar ( Q, U, R1_1, Laxis1, R2_1, Laxis2, L1, N ) !!!!!
-        ! Potential for a segment and a semi-infinite tube is calculated by the numerical
-        ! integration (trapezoidal rule) along the segment axis for parallel objects.
-        !-------------------------------------------------------------------------------------------
-        real(c_double), intent(out)                     :: Q, U
-        real(c_double), dimension(0:2), intent(in)      :: R1_1, Laxis1, R2_1, Laxis2
-        real(c_double), intent(in)                      :: L1
-        integer(c_int), intent(in)                      :: N ! Number of nodes for numerical integration
-        !-------------------------------------------------------------------------------------------
-        real(c_double)                                  :: Qs, Us, DX, X, S, H
-        real(c_double), dimension(0:2)                  :: R1, L12
-        integer(c_int)                                  :: i
-        !-------------------------------------------------------------------------------------------
-                DX = L1 / ( N - 1 )
-                X = 0.0d+00
-                Q = 0.0d+00
-                U = 0.0d+00
-                TPMSSTPotentialPar = 0
-                do i = 0, N - 1
-                        R1 = R1_1 + X * Laxis1
-                        call LinePoint ( S, L12, R2_1, Laxis2, R1 )
-                        L12 = L12 - R1
-                        call ApplyPeriodicBC ( L12 )
-                        H = S_V3norm3 ( L12 )
-                        if ( TPMSSTPInt0S ( Qs, Us,  H, S ) > 0 ) then
-                                TPMSSTPotentialPar = 1
-                                if ( i == 0 .or. i == TPMNN - 1 ) then
-                                        Q = Q + 0.5d+00 * Qs
-                                        U = U + 0.5d+00 * Us
-                                else
-                                        Q = Q + Qs
-                                        U = U + Us
-                                end if
-                                X = X + DX
-                        end if
-                end do
-                Q = Q * DX
-                U = U * DX
-        end function TPMSSTPotentialPar !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
-
-        integer(c_int) function TPMSSTForces ( Q, U, F1, F2, Fd, X1, X2, H, cosA, D, N ) !!!!!!!!!!!
-        ! Potential and forces applied to the segment from a semi-infinite tube are calculated
-        ! by the numerical integration (trapezoidal rule) along the segment axis.
-        ! Non-parallel case.
-        !-------------------------------------------------------------------------------------------
-        real(c_double), intent(out)                     :: Q, U, Fd
-        real(c_double), dimension(0:2), intent(out)     :: F1, F2
-        real(c_double), intent(in)                      :: X1, X2, H, cosA, D
-        integer(c_int), intent(in)                      :: N ! Number of nodes for numerical integration
-        !-------------------------------------------------------------------------------------------
-        real(c_double)                                  :: DX, sinA
-        real(c_double)                                  :: Qs, Us, Ush, Usx, Fx, Fy, Fz
-        real(c_double)                                  :: C, C1, C2, I0, Ih, Ih1, Ih2, Ix, Ix1, X, XX, HH
-        real(c_double)                                  :: Ca, CaA, Ka, KaA, Cu, CuH, CuA, Ce, CeA, Ke, Uh, Ua
-        integer(c_int)                                  :: IntSign, i
-        !-------------------------------------------------------------------------------------------
-                I0   = 0.0d+00
-                Ih   = 0.0d+00
-                Ih1  = 0.0d+00
-                Ih2  = 0.0d+00
-                Ix   = 0.0d+00
-                Ix1  = 0.0d+00
-                Q    = 0.0d+00
-                U    = 0.0d+00
-                F1   = 0.0d+00
-                F2   = 0.0d+00
-                Fd   = 0.0d+00
-                sinA = dsqrt ( 1.0d+00 - cosA * cosA )
-                X    = X1
-                DX   = ( X2 - X1 ) / ( N - 1 )
-                TPMSSTForces = 0
-                call TPMCa1 ( Ca, CaA, Ka, KaA, cosA, sinA )
-                call TPMCu1 ( Cu, CuH, CuA, H, cosA, sinA )
-                call TPMCe1 ( Ce, CeA, Ke, cosA, sinA )
-                do i = 0, N - 1
-                        XX = X * cosA - Ce * D
-                        HH = sqrt ( H * H + sqr ( X * Ca ) )
-                        if ( TPMSSTPInt1S ( Qs, Us, Ush, Usx, HH, XX ) > 0 ) TPMSSTForces = 1
-                        if ( i == 0 .or. i == N - 1 ) then
-                                Qs  = 0.5d+0 * Qs
-                                Us  = 0.5d+0 * Us
-                                Ush = 0.5d+0 * Ush
-                                Usx = 0.5d+0 * Usx
-                        end if
-                        if ( HH .le. TPGeomPrec ) then
-                                Ush = 0.0d+00
-                        else
-                                Ush = Ush / HH
-                        end if
-                        Q   = Q + Qs
-                        I0  = I0 + Us
-                        Ih  = Ih + Ush
-                        Ih1 = Ih1 + X * Ush
-                        Ih2 = Ih2 + X * X * Ush
-                        Ix  = Ix + Usx
-                        Ix1 = Ix1 + X * Usx
-                        X   = X + DX
-                end do
-                if ( TPMSSTForces == 0 ) return
-
-                C   = DX * Cu
-                I0  = I0 * C
-                Ih  = Ih * C
-                Ih1 = Ih1 * C
-                Ih2 = Ih2 * C
-                Ix  = Ix * C
-                Ix1 = Ix1 * C
-
-                DX  = X2 - X1
-
-                Q  = Q * C
-                U  = I0
-                Uh = ( CuH * U / Cu + h * Ih ) / DX
-                Ua = ( CuA * I0 / Cu + Ca * CaA * Ih2 - sinA * Ix1 - CeA * D * Ix ) / DX
-
-                C1 = Ka * Ka * Ih1
-                C  = h * ( C1 + cosA * Ke * Ix ) / DX
-                F1(0) = X2 * Uh - C
-                F2(0) = C - X1 * Uh
-
-                C = ( cosA * sinA * C1 + ( Ke * sinA - sinA ) * Ix ) / DX
-                F1(1) = Ua - X2 * C
-                F2(1) = X1 * C - Ua
-
-                C1 = Ca * Ca * Ih1 + cosA * Ix
-                C2 = Ca * Ca * Ih2 + cosA * Ix1
-                F1(2) = ( U - X2 * C1 + C2 ) / DX
-                F2(2) = ( X1 * C1 - C2 - U ) / DX
-
-                Fd = Ce * Ix
-        end function TPMSSTForces !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
-
-        integer(c_int) function TPMSSTForcesPar ( Q, U, F1, F2, Fd, R1_1, Laxis1, R2_1, Laxis2, L1, N )
-        ! Potential and forces applied to the segment from a semi-infinite tube are calculated by
-        ! the numerical integration (trapezoidal rule) along the segment axis.
-        ! Parallel case
-        !-------------------------------------------------------------------------------------------
-        real(c_double), intent(out)                     :: Q, U, Fd
-        real(c_double), dimension(0:2), intent(out)     :: F1, F2
-        real(c_double), dimension(0:2), intent(in)      :: R1_1, Laxis1, R2_1, Laxis2
-        real(c_double), intent(in)                      :: L1
-        integer(c_int), intent(in)                      :: N ! Number of nodes for numerical integration
-        !-------------------------------------------------------------------------------------------
-        real(c_double)                                  :: Qs, Us, Ush, Usx, DX, X, S, H, Beta, Gamma
-        real(c_double), dimension(0:2)                  :: R1, L12, Fs
-        integer(c_int)                                  :: i, N1
-        !-------------------------------------------------------------------------------------------
-                Q  = 0.0d+00
-                U  = 0.0d+00
-                F1 = 0.0d+00
-                F2 = 0.0d+00
-                Fd = 0.0d+00
-                X  = 0.0d+00
-                N1 = N - 1
-                DX = L1 / N1
-                TPMSSTForcesPar = 0
-                do i = 0, N1
-                        R1 = R1_1 + X * Laxis1
-                        call LinePoint ( S, L12, R2_1, Laxis2, R1 )
-                        L12 = L12 - R1
-                        call ApplyPeriodicBC ( L12 )
-                        H = S_V3norm3 ( L12 )
-                        if ( TPMSSTPInt1S ( Qs, Us, Ush, Usx, H, S ) > 0 ) then
-                                TPMSSTForcesPar = 1
-                                if ( H .ge. TPGeomPrec ) then
-                                        Fs = Ush * L12 / H -  Usx * Laxis2
-                                else
-                                        Fs = - Usx * Laxis2
-                                end if
-                                Beta = real ( i ) / N1
-                                Gamma = 1.0d+00 - Beta
-                                if ( i == 0 .or. i == N1 ) then
-                                        Q = Q + 0.5d+00 * Qs
-                                        U = U + 0.5d+00 * Us
-                                        Fd = Fd + 0.5d+00 * Usx
-                                        Gamma = 0.5d+00 * Gamma
-                                        Beta = 0.5d+000 * Beta
-                                else
-                                        Q  = Q + Qs
-                                        U  = U + Us
-                                        Fd = Fd + Usx
-                                end if
-                                F1 = F1 + Gamma * Fs
-                                F2 = F2 + Beta * Fs
-                        end if
-                        X = X + DX
-                end do
-                Q = Q * DX
-                U = U * DX
-                Fd = Fd * DX
-                Fs = U * Laxis1 / L1
-                F1 = DX * F1 + Fs
-                F2 = DX * F2 - Fs
-        end function TPMSSTForcesPar !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
-
-!---------------------------------------------------------------------------------------------------
-! ST: Potential for a infinite tube interacting with a segment
-!--------------------------------------------------------------------------------------------------
-
-        !
-        ! These functions are used to smooth boundaries in (H,X) domain for ST potential
-        !
-
-        real(c_double) function TPMSTXMin0 ( H ) !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
-        real(c_double), intent(in)      :: H
-        !-------------------------------------------------------------------------------------------
-        real(c_double)                  :: X
-        !-------------------------------------------------------------------------------------------
-                if ( H < TPMSTH1 ) then
-                        TPMSTXMin0 = sqrt ( TPMSTH2 * TPMSTH2 - H * H )
-                        return
-                else if ( H > TPMSTH2 ) then
-                        TPMSTXMin0 = 0.0d+00
-                        return
-                end if
-                X = ( H - TPMSTH1 ) / TPMSTDH12
-                TPMSTXMin0 = sqrt ( TPMSTH2 * TPMSTH2 - H * H ) &
-                        * ( 1.0d+00 - X * X * X * ( 3.0d+00 * X * ( 2.0d+00 * X - 5.0d+00 ) + 10.0d+00 ) )
-        end function TPMSTXMin0 !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
-
-        real(c_double) function TPMSTXMax0 ( H ) !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
-        real(c_double), intent(in)      :: H
-        !-------------------------------------------------------------------------------------------
-                TPMSTXMax0 = sqrt ( TPMSTXMax * TPMSTXMax - H * H )
-        end function TPMSTXMax0 !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
-
-        subroutine TPMSTXMin1 ( XMin, dXMindH, H ) !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
-        real(c_double), intent(out)     :: XMin, dXMindH
-        real(c_double), intent(in)      :: H
-        !-------------------------------------------------------------------------------------------
-        real(c_double)                  :: X, F, dFdX
-        !-------------------------------------------------------------------------------------------
-                if ( H < TPMSTH1 ) then
-                        XMin = sqrt ( TPMSTH2 * TPMSTH2 - H * H )
-                        dXMindH = - H / XMin
-                        return
-                else if ( H > TPMSTH2 ) then
-                        XMin     = 0.0d+00
-                        dXMindH = 0.0d+00
-                        return
-                end if
-                X = ( H - TPMSTH1 ) / TPMSTDH12
-                F = 1.0d+00 - X * X * X * ( 3.0d+00 * X * ( 2.0d+00 * X - 5.0d+00 ) + 10.0d+00 )
-                X = X * ( X - 1.0d+00 )
-                dFdX = - 30.0d+00 * X * X
-                XMin = sqrt ( TPMSTH2 * TPMSTH2 - H * H )
-                dXMindH = - H * F / XMin + XMin * dFdX / TPMSTDH12
-                XMin = XMin * F
-        end subroutine TPMSTXMin1 !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
-
-        subroutine TPMSTXMax1 ( XMax, dXMaxdH, H ) !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
-        real(c_double), intent(out)     :: XMax, dXMaxdH
-        real(c_double), intent(in)      :: H
-        !-------------------------------------------------------------------------------------------
-                XMax    = sqrt ( TPMSTXMax * TPMSTXMax - H * H )
-                dXMaxdH = - H / XMax
-        end subroutine TPMSTXMax1 !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
-
-        !
-        ! ST (segment-tube) table
-        !
-
-        subroutine TPMSTIntegrator ( G, F, Q, U, H, X, DX ) !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
-        real(c_double), intent(inout)   :: G, F, Q, U
-        real(c_double), intent(in)      :: H, X, DX
-        !-------------------------------------------------------------------------------------------
-        real(c_double)                  :: FFx, HH, DDX
-        integer(c_int)                  :: IntSign
-        !-------------------------------------------------------------------------------------------
-                DDX = 0.5 * DX
-                G = G + Q * DDX
-                F = F + U * DDX
-                Q = 0.0d+00
-                U = 0.0d+00
-                HH  = dsqrt ( sqr ( H ) + sqr ( X ) )
-                if ( HH > TPMHmax ) return
-                IntSign = TPMSTPInt0 ( Q, U, HH )
-                if ( IntSign == 1 ) then
-                        G = G + Q * DDX
-                        F = F + U * DDX
-                end if
-        end subroutine TPMSTIntegrator !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
-
-        integer(c_int) function TPMSTInt0 ( G, F, H, X ) !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
-        real(c_double), intent(out)     :: G, F
-        real(c_double), intent(in)      :: H, X
-        !-------------------------------------------------------------------------------------------
-        integer(c_int)                  :: i, j
-        real(c_double)                  :: S, XA, XXX, XXXX, XMin, XMax
-        !-------------------------------------------------------------------------------------------
-                if ( H > TPMHmax ) then
-                        G = 0.0d+00
-                        F = 0.0d+00
-                        TPMSTInt0 = 0
-                        return
-                else if ( H < 0.0d+00 ) then
-                        G = 0.0d+00
-                        F = 0.0d+00
-                        TPMSTInt0 = 2
-                        !call PrintTPErrMsg ()
-                        !!call PrintStdLogMsg ( TPErrMsg )
-                        !all Error ( 'TPMSTInt0', 'H < 0' )
-                        !!return
-                end if
-                S = signum ( X )
-                XA = dabs ( X )
-                i = 1 + int ( H / TPMDH )
-                if ( i > TPMNH1 ) i = TPMNH1
-                XMin = TPMSTXMin0 ( H )
-                XMax = TPMSTXMax0 ( H )
-                XXX  = ( XA - XMin ) / ( XMax - XMin )
-                if ( XXX < 0.0d+00 ) then
-                        j  = 1
-                        XXXX = 0.0d+00
-                        !call PrintTPErrMsg ()
-                        !write ( TPErrMsg, '(a,e20.10,a,e20.10,a,e20.10)' ) 'X < XMin, X=', XA, ', XMin=', XMin, ', H=', H
-                        !call Error ( 'TPMSTInt0', TPErrMsg )
-                else if ( XXX .ge. 1.0d+00 ) then
-                        j  = TPMNX1
-                        XXXX = 1.0d+00
-                else
-                        XXXX = XXX
-                        j = 1 + int ( XXXX * TPMNX1 )
-                end if
-                G = S * CalcLinFun2_0 ( i, j, H, XXXX, TPMNH, TPMNX, TPMSTH, TPMSTX, TPMSTG )
-                F = S * CalcSpline2_0 ( i, j, H, XXXX, TPMNH, TPMNX, TPMSTH, TPMSTX, TPMSTF, TPMSTFxx, TPMSTFyy, TPMSTFxxyy )
-                TPMSTInt0 = 1
-        end function TPMSTInt0 !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
-
-        integer(c_int) function TPMSTInt1 ( G, F, Fh, Fx, H, X ) !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
-        real(c_double), intent(inout)   :: G, F, Fh, Fx
-        real(c_double), intent(in)      :: H, X
-        !-------------------------------------------------------------------------------------------
-        integer(c_int)                  :: i, j
-        real(c_double)                  :: S, XA, DX, XXX, XXXX, XMin, XMax, dXMindH, dXMaxdH
-        !-------------------------------------------------------------------------------------------
-                if ( H > TPMHmax ) then
-                        G  = 0.0d+00
-                        F  = 0.0d+00
-                        Fh = 0.0d+00
-                        Fx = 0.0d+00
-                        TPMSTInt1 = 0
-                        return
-                else if ( H < 0.0d+00 ) then
-                        G  = 0.0d+00
-                        F  = 0.0d+00
-                        Fh = 0.0d+00
-                        Fx = 0.0d+00
-                        TPMSTInt1 = 2
-                        !call PrintTPErrMsg ()
-                        !!call PrintStdLogMsg ( trim ( TPErrMsg ) )
-                        !call Error ( 'TPMSTInt1', 'H < 0' )
-                        !!return
-                end if
-                S = signum ( X )
-                XA = dabs ( X )
-                i = 1 + int ( H / TPMDH )
-                if ( i > TPMNH1 ) i = TPMNH1
-                call TPMSTXMin1 ( XMin, dXMindH, H )
-                call TPMSTXMax1 ( XMax, dXMaxdH, H )
-                DX = XMax - XMin
-                XXX  = ( XA - XMin ) / DX
-                if ( XXX < 0.0d+00 ) then
-                        j  = 1
-                        XXX = 0.0d+00
-                        XXXX = 0.0d+00
-                        !call PrintTPErrMsg ()
-                        !write ( TPErrMsg, '(a,e20.10,a,e20.10,a,e20.10)' ) 'X < XMin, X=', XA, ', XMin=', XMin, ', H=', H
-                        !call Error ( 'TPMSTInt', TPErrMsg )
-                else if ( XXX .ge. 1.0d+00 ) then
-                        j  = TPMNX1
-                        XXX = 1.0d+00
-                        XXXX = 1.0d+00
-                else
-                        XXXX = XXX
-                        j = 1 + int ( XXXX * TPMNX1 )
-                end if
-                G = S * CalcLinFun2_0 ( i, j, H, XXXX, TPMNH, TPMNX, TPMSTH, TPMSTX, TPMSTG )
-                call CalcSpline2_1 ( F, Fh, Fx, i, j, H, XXXX, TPMNH, TPMNX, TPMSTH, TPMSTX, &
-                        TPMSTF, TPMSTFxx, TPMSTFyy, TPMSTFxxyy )
-                Fx = Fx / DX
-                Fh = Fh - Fx * ( dXMaxdH * XXX + dXMindH * ( 1.0d+00 - XXX ) )
-                F = F * S
-                Fh = Fh * S
-                TPMSTInt1 = 1
-        end function TPMSTInt1 !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
-
-        integer(c_int) function TPMSTPotential ( Q, U, X1, X2, H, cosA, CaseID ) !!!!!!!!!!!!!!!!!!!
-        real(c_double), intent(out)     :: Q, U
-        real(c_double), intent(in)      :: X1, X2, H, cosA
-        integer(c_int), intent(in)      :: CaseID
-        !-------------------------------------------------------------------------------------------
-        real(c_double)                  :: sinA, GG1, GG2, FF1, FF2, Ca, Cu
-        !-------------------------------------------------------------------------------------------
-                if ( CaseID == MD_LINES_PAR ) then
-                        TPMSTPotential = TPMSTPInt0 ( Q, U, H )
-                        U = U * ( X2 - X1 )
-                        return
-                end if
-                TPMSTPotential = 0
-                sinA = dsqrt ( 1.0d+00 - cosA * cosA )
-                Cu = TPMCu0 ( H, cosA, sinA )
-                Ca = TPMCa0 ( cosA, sinA )
-                if ( TPMSTInt0  ( GG1, FF1, H, X1 * Ca ) > 0 ) TPMSTPotential = 1
-                if ( TPMSTInt0  ( GG2, FF2, H, X2 * Ca ) > 0 ) TPMSTPotential = 1
-                Q = Cu * ( GG2 - GG1 ) / Ca
-                U = Cu * ( FF2 - FF1 ) / Ca
-        end function TPMSTPotential !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
-
-        integer(c_int) function TPMSTForces ( Q, U, F1, F2, X1, X2, H, cosA, CaseID ) !!!!!!!!!!!!!!
-        real(c_double), intent(out)                     :: Q, U
-        real(c_double), dimension(0:2), intent(out)     :: F1, F2
-        real(c_double), intent(in)                      :: X1, X2, H, cosA
-        integer(c_int), intent(in)                      :: CaseID
-        !-------------------------------------------------------------------------------------------
-        real(c_double)                                  :: DX, sinA
-        real(c_double)                                  :: GG1, GG2, FF1, FF2, Fh1, Fh2, Fx1, Fx2
-        real(c_double)                                  :: B, C, D
-        real(c_double)                                  :: Ca, CaA, Ka, KaA, Cu, CuH, CuA
-        integer(c_int)                                  :: IntSign1, IntSign2
-        !-------------------------------------------------------------------------------------------
-                DX = X2 - X1
-                if ( CaseID == MD_LINES_PAR ) then
-                        F1 = 0.0d+00
-                        F2 = 0.0d+00
-                        TPMSTForces = TPMSTPInt1 ( Q, U, F1(0), H )
-                        F1(0) = F1(0) * 0.5 * DX
-                        F2(0) = F1(0)
-                        F1(2) = U
-                        F2(2) = - U
-                        Q     = Q * DX
-                        U     = U * DX
-                        return
-                end if
-
-                sinA = dsqrt ( 1.0d+00 - cosA * cosA )
-                call TPMCa1 ( Ca, CaA, Ka, KaA, cosA, sinA )
-                IntSign1 = TPMSTInt1  ( GG1, FF1, Fh1, Fx1, H, X1 * Ca )
-                IntSign2 = TPMSTInt1  ( GG2, FF2, Fh2, Fx2, H, X2 * Ca )
-                if ( ( IntSign1 .ne. 1 ) .and. ( IntSign2 .ne. 1 ) ) then
-                        Q = 0.0d+00
-                        U = 0.0d+00
-                        F1 = 0.0d+00
-                        F2 = 0.0d+00
-                        TPMSTForces = 0
-                        return
-                end if
-
-                call TPMCu1 ( Cu, CuH, CuA, H, cosA, sinA )
-
-                Q = Cu * ( GG2 - GG1 ) / Ca
-                U = Cu * ( FF2 - FF1 ) / Ca
-
-                B = Cu * ( Fx2 - Fx1 ) / sinA
-                C = H * B / sinA
-                D = CuH * U / Cu + Cu * ( Fh2 - Fh1 ) / Ca
-                F1(0) = ( X2 * D - C ) / DX
-                F2(0) = ( C - X1 * D ) / DX
-
-                C = cosA * B
-                D = ( CuA / Cu - CaA / Ca ) * U + CaA * Cu * ( X2 * Fx2 - X1 * Fx1 ) / Ca
-                F1(1) = ( D - X2 * C ) / DX
-                F2(1) = ( X1 * C - D ) / DX
-
-                F1(2) = Cu * Fx1
-                F2(2) = - Cu * Fx2
-
-                TPMSTForces = 1
-        end function TPMSTForces !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
-
-        integer(c_int) function TPMSTForceTorque( Qi, Ui, Fi, Ti, Q, U, F, T, Psi, PsiA, Cap, L, H, cosA, CaseID )
-        real(c_double), intent(out)                     :: Qi, Ui, Fi, Ti, Q, U, F, T, Psi, PsiA, Cap
-        real(c_double), intent(in)                      :: L, H, cosA
-        integer(c_int), intent(in)                      :: CaseID
-        !-------------------------------------------------------------------------------------------
-        real(c_double)                                  :: L2, sinA
-        real(c_double)                                  :: GG, FF, Fh, Fx, GGi, FFi, Fhi, Fxi
-        real(c_double)                                  :: B, C, D
-        real(c_double)                                  :: Ca, CaA, Ka, KaA, Cu, CuH, CuA
-        integer(c_int)                                  :: IntSign
-        !-------------------------------------------------------------------------------------------
-                if ( CaseID == MD_LINES_PAR ) then
-                        TPMSTForceTorque = TPMSTPInt1 ( Q, U, F, H )
-                        Q  = Q * L
-                        U  = U * L
-                        F  = - F * L
-                        T  = 0.0d+00
-                        Qi = 0.0d+00
-                        Ui = 0.0d+00
-                        Fi = 0.0d+00
-                        Ti = 0.0d+00
-                        Psi = 0.0d+00
-                        PsiA = 0.0d+00
-                        Cap = 0.0d+00
-                        return
-                end if
-
-                L2 = 0.5d+00 * L
-                sinA = dsqrt ( 1.0d+00 - cosA * cosA )
-                call TPMCa1 ( Ca, CaA, Ka, KaA, cosA, sinA )
-                IntSign = TPMSTInt1  ( GG, FF, Fh, Fx, H, L2 * Ca )
-                IntSign = TPMSTInt1  ( GGi, FFi, Fhi, Fxi, H, TPMSTXmax )
-                if ( IntSign .ne. 1 ) then
-                        Qi = 0.0d+00
-                        Ui = 0.0d+00
-                        Fi = 0.0d+00
-                        Ti = 0.0d+00
-                        Q  = 0.0d+00
-                        U  = 0.0d+00
-                        F  = 0.0d+00
-                        T  = 0.0d+00
-                        Psi  = 0.0d+00
-                        PsiA = 0.0d+00
-                        Cap  = 0.0d+00
-                        TPMSTForceTorque = 0
-                        return
-                end if
-
-                call TPMCu1 ( Cu, CuH, CuA, H, cosA, sinA )
-
-                Psi = Cu / Ca
-                PsiA = ( CuA * Ca - Cu * CaA ) / Ca / Ca
-                Cap = CuA / Cu - KaA / Ka - cosA / sinA
-                Qi = 2.0d+00 * Psi * GGi
-                Ui = 2.0d+00 * Psi * FFi
-                Fi = - 2.0d+00 * ( CuH * FFi / Ca + Psi * Fhi )
-                Ti = - Cap * Ui
-
-                Q = 2.0d+00 * Cu * GG / Ca
-                U = 2.0d+00 * Cu * FF / Ca
-                F = - 2.0d+00 * ( CuH * FF / Ca + Psi * Fh )
-                T = - 2.0d+00 * ( ( CuA * Ka - Cu * KaA ) / ( Ka * Ka * sinA ) - Cu * cosA / ( Ka * sinA * sinA ) ) * FF &
-                    - 2.0d+00 * Cu / ( Ka * sinA ) * Fx * L2 * ( KaA * sinA + Ka * cosA )
-
-                TPMSTForceTorque = 1
-        end function TPMSTForceTorque !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
-
-        subroutine TPMSTInit () !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
-        real(c_double)                          :: X, Q, U, DX, DDX, XMin, XMax
-        integer(c_int)                          :: i, j, k
-        real(c_double), dimension(0:TPMNMAX-1)  :: FF, DD, MM, K0, K1, K2
-        !-------------------------------------------------------------------------------------------
-                TPMSTH1   = TPMR1 + TPMR2
-                TPMSTH2   = TPMSTH1 + TPMSTDelta
-                TPMSTDH12 = TPMSTH2 - TPMSTH1
-                TPMSTXmax = TPMHMax + TPMSTDelta
-                DX = 1.0 / TPMNX1
-                do j = 0, TPMNX1
-                        TPMSTX(j) = DX * j
-                end do
-                do i = 0, TPMNH1
-                        TPMSTH(i) = TPMDH * i
-                        XMin = TPMSTXmin0 ( TPMSTH(i) )
-                        XMax = TPMSTXMax0 ( TPMSTH(i) )
-                        Q  = 0.0d+00
-                        U  = 0.0d+00
-                        DX = ( XMax - XMin ) * TPMSTX(1) / TPMSTNXS
-                        X  = XMin
-                        call TPMSTIntegrator ( TPMSTG(i,0), TPMSTF(i,0), Q, U, TPMSTH(i), X, DX )
-                        TPMSTG(i,0) = 0.0d+00
-                        TPMSTF(i,0) = 0.0d+00
-                        TPMSTFyy(i,0) = U
-                        TPMSTFyy(i,TPMNX1) = 0.0d+00
-                        do j = 1, TPMNX1
-                                TPMSTG(i,j) = TPMSTG(i,j-1)
-                                TPMSTF(i,j) = TPMSTF(i,j-1)
-                                do k = 0, TPMSTNXS - 1
-                                        X = X + DX
-                                        call TPMSTIntegrator ( TPMSTG(i,j), TPMSTF(i,j), Q, U, TPMSTH(i), X, DX )
-                                end do
-                                if ( j < TPMNX1 ) DX  = ( XMax - XMin ) * ( TPMSTX(j+1) - TPMSTX(j) ) / TPMSTNXS
-                        end do
-                end do
-                call CreateSpline2 ( 3, 3, 3, 3, TPMNH, TPMNX, TPMNMAX, TPMSTH, TPMSTX, TPMSTF, TPMSTFxx, &
-                        TPMSTFyy, TPMSTFxxyy, FF, MM, DD, K0, K1, K2 )
-        end subroutine TPMSTInit !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
-
-!---------------------------------------------------------------------------------------------------
-! Interaction functions: They can be used for calculation of the potential and forces between a
-! segment and an  infinite or semi-infinite nanotube.
-!---------------------------------------------------------------------------------------------------
-
-        subroutine TPMSegmentForces ( F2_1, F2_2, F1_1, F1_2, R1_1, R1_2, R2, Laxis2, L2 ) !!!!!!!!!
-        real(c_double), dimension(0:2), intent(out)     :: F2_1, F2_2
-        real(c_double), dimension(0:2), intent(in)      :: F1_1, F1_2, R1_1, R1_2, R2, Laxis2
-        real(c_double), intent(in)                      :: L2
-        !-------------------------------------------------------------------------------------------
-        real(c_double), dimension(0:2)                  :: F, M, RR
-        !-------------------------------------------------------------------------------------------
-                RR = R1_1 - R2
-                ! Taking into account periodic boundary conditions
-                call ApplyPeriodicBC ( RR )
-                call V3_V3xxV3 ( M, RR, F1_1 )
-                RR = R1_2 - R2
-                ! Taking into account periodic boundary conditions
-                call ApplyPeriodicBC ( RR )
-                call V3_V3xxV3 ( F, RR, F1_2 )
-                M = - ( M + F )
-                F = - ( F1_1 + F1_2 )
-                call TPBSegmentForces ( F2_1, F2_2, F, M, Laxis2, L2 )
-        end subroutine TPMSegmentForces !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
-
-        !
-        ! Interaction of a segment with a semi-infinite or infinite tube
-        !
-
-        integer(c_int) function TPMInteractionF ( Q, U, F1_1, F1_2, F2_1, F2_2, Fd, R1_1, R1_2, R2_1, R2_2, SType2 )
-        ! SType2 in the type of the second segment:
-        !   SType2 == 0, internal segment;
-        !   Stype2 == 1, point R2_1 is the end of the tube;
-        !   Stype2 == 2, point R2_2 in the end of the tube.
-        !-------------------------------------------------------------------------------------------
-        real(c_double), intent(inout)                   :: Q, U, Fd
-        real(c_double), dimension(0:2), intent(inout)   :: F1_1, F1_2, F2_1, F2_2
-        real(c_double), dimension(0:2), intent(in)      :: R1_1, R1_2, R2_1, R2_2
-        !-------------------------------------------------------------------------------------------
-        integer(c_int)                  :: SType2
-        real(c_double), dimension(0:2)  :: R1, R2, Laxis1, Laxis2, F1, F2, L12, Ly, DR, F1_1a, F1_2a, F1_1b, F1_2b
-        real(c_double)                  :: H, cosA, D1, D2, L1, L2, cosA2, t, W, W1, dWdt, Qa, Ua, Qb, Ub, Fda, Fdb, FF
-        integer(c_int)                  :: GeomID, SwitchID, S, IntSigna, IntSignb
-        !-------------------------------------------------------------------------------------------
-                R1 = 0.5d+00 * ( R1_1 + R1_2 )
-                R2 = 0.5d+00 * ( R2_1 + R2_2 )
-                Laxis1 = R1_2 - R1_1
-                Laxis2 = R2_2 - R2_1
-                L1 = S_V3norm3 ( Laxis1 )
-                L2 = S_V3norm3 ( Laxis2 )
-                Laxis1 = Laxis1 / L1
-                Laxis2 = Laxis2 / L2
-                L1 = 0.5d+00 * L1
-                L2 = 0.5d+00 * L2
-                if ( SType2 == 2 ) Laxis2 = - Laxis2
-                GeomID = LineLine ( H, cosA, D1, D2, L12, R1, Laxis1, R2, Laxis2, TPGeomPrec )
-
-                ! Angle switch
-                if ( TPMASwitch == 0 ) then
-                        if ( GeomID == MD_LINES_PAR ) then
-                                SwitchID = 2
-                        else
-                                SwitchID = 0
-                        end if
-                else
-                        cosA2 = cosA * cosA
-                        if ( cosA2 .ge. TPMASMax .or. GeomID == MD_LINES_PAR ) then
-                                SwitchID = 2
-                        else if ( cosA2 .le. TPMASMin ) then
-                                SwitchID = 0
-                        else
-                                t = ( cosA2 - TPMASMin ) / TPMASDelta
-                                W = 1.0d+00 - t * t * ( 3.0d+00 - 2.0d+00 * t )
-                                dWdt = 6.0d+00 * t * ( t - 1.0d+00 ) / TPMASDelta
-                                SwitchID = 1
-                        end if
-                end if
-
-                if ( SwitchID < 2 ) then
-                        D2 = D2 - L2
-                        if ( SType2 == 0 ) then
-                                IntSigna = TPMSTForces  ( Qa, Ua, F1, F2, D1 - L1, D1 + L1, H, cosA, MD_LINES_NONPAR )
-                                Fda = 0.0d+00
-                        else
-                                IntSigna = TPMSSTForces  ( Qa, Ua, F1, F2, Fda, D1 - L1, D1 + L1, H, cosA, D2, TPMNN )
-                        end if
-                        call V3_V3xxV3 ( Ly, Laxis1, Laxis2 )
-                        S = signum ( S_V3xV3 ( Ly, L12 ) )
-                        call V3_V3xxV3 ( Ly, Laxis1, L12 )
-                        Ly = Ly * S
-                        if ( IntSigna > 0 ) then
-                                F1_1a = F1(0) * L12 + F1(1) * Ly + F1(2) * Laxis1
-                                F1_2a = F2(0) * L12 + F2(1) * Ly + F2(2) * Laxis1
-                        else
-                                F1_1a = 0.0d+00
-                                F1_2a = 0.0d+00
-                        end if
-                end if
-
-                if ( SwitchID > 0 ) then
-                        if ( SType2 == 0 ) then
-                                call LinePoint ( H, L12, R2, Laxis2, R1 )
-                                L12 = L12 - R1
-                                call ApplyPeriodicBC ( L12 )
-                                H = S_V3norm3 ( L12 )
-                                IntSignb = TPMSTForces  ( Qb, Ub, F1, F2, - L1, L1, H, cosA, MD_LINES_PAR )
-                                Fdb = 0.0d+00
-                                if ( IntSignb > 0 ) then
-                                        if ( H .le. TPGeomPrec ) then
-                                                F1_1b = F1(2) * Laxis1
-                                                F1_2b = F2(2) * Laxis1
-                                        else
-                                                L12 = L12 / H
-                                                F1_1b = F1(0) * L12 + F1(2) * Laxis1
-                                                F1_2b = F2(0) * L12 + F2(2) * Laxis1
-                                        end if
-                                else
-                                        F1_1b = 0.0d+00
-                                        F1_2b = 0.0d+00
-                                end if
-                        else if ( Stype2 == 1 ) then
-                                IntSignb = TPMSSTForcesPar ( Qb, Ub, F1_1b, F1_2b, Fdb, R1_1, Laxis1, R2_1, Laxis2, &
-                                        2.0d+00 * L1, TPMNN )
-                        else
-                                IntSignb = TPMSSTForcesPar ( Qb, Ub, F1_1b, F1_2b, Fdb, R1_1, Laxis1, R2_2, Laxis2, &
-                                        2.0d+00 * L1, TPMNN )
-                        end if
-                end if
-
-                if ( SwitchID == 0 ) then
-                        Q    = Qa
-                        U    = Ua
-                        F1_1 = F1_1a
-                        F1_2 = F1_2a
-                        Fd   = Fda
-                        TPMInteractionF = IntSigna
-                else if ( SwitchID == 2 ) then
-                        Q    = Qb
-                        U    = Ub
-                        F1_1 = F1_1b
-                        F1_2 = F1_2b
-                        Fd   = Fdb
-                        TPMInteractionF = IntSignb
-                else
-                        W1   = 1.0d+00 - W
-                        Q    = W * Qa + W1 * Qb
-                        U    = W * Ua + W1 * Ub
-                        Ly   = Ly * ( Ua - Ub ) * dWdt * cosA * sqrt ( 1.0d+00 - sqr ( cosA ) ) / L1
-                        F1_1 = W * F1_1a + W1 * F1_1b - Ly
-                        F1_2 = W * F1_2a + W1 * F1_2b + Ly
-                        Fd   = W * Fda + W1 * Fdb
-                        TPMInteractionF = 0
-                        if ( IntSigna > 0 .or. IntSignb > 0 ) TPMInteractionF = 1
-                end if
-
-                ! Calculation of forces for the complimentary tube
-                if ( SType2 == 2 ) Laxis2 = - Laxis2
-                call TPMSegmentForces ( F2_1, F2_2, F1_1, F1_2, R1_1, R1_2, R2, Laxis2, 2.0d+00 * L2 )
-                ! After the previous subroutine call, F2_1*Laxis2 = F2_2*Laxis2, but this is not true for a semi-infinite tube.
-                ! The force along the tube should be applied to the end of the tube, while for the
-                ! another point corresponding force is equal to zero.
-                if ( SType2 == 1 ) then
-                        FF = S_V3xV3 ( F2_1, Laxis2 )
-                        DR = ( Fd - FF ) * Laxis2
-                        F2_1 = F2_1 + DR
-                        F2_2 = F2_2 - DR
-                else if ( SType2 == 2 ) then
-                        FF = S_V3xV3 ( F2_2, Laxis2 )
-                        DR = ( - Fd - FF ) * Laxis2
-                        F2_2 = F2_2 + DR
-                        F2_1 = F2_1 - DR
-                end if
-        end function TPMInteractionF !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
-
-        integer(c_int) function TPMInteractionU ( Q, U, R1_1, R1_2, R2_1, R2_2, SType2 ) !!!!!!!!!!!
-        real(c_double), intent(inout)                   :: Q, U
-        real(c_double), dimension(0:2), intent(in)      :: R1_1, R1_2, R2_1, R2_2
-        integer(c_int), intent(in)                      :: SType2
-        !-------------------------------------------------------------------------------------------
-        real(c_double), dimension(0:2)                  :: R1, R2, Laxis1, Laxis2, F1, F2, L12, DR
-        real(c_double)                                  :: H, cosA, D1, D2, L1, L2, cosA2, t, W, Qa, Ua, Qb, Ub
-        integer(c_int)                                  :: GeomID, SwitchID, IntSigna, IntSignb
-        !-------------------------------------------------------------------------------------------
-                R1 = 0.5d+00 * ( R1_1 + R1_2 )
-                R2 = 0.5d+00 * ( R2_1 + R2_2 )
-                Laxis1 = R1_2 - R1_1
-                Laxis2 = R2_2 - R2_1
-                L1 = S_V3norm3 ( Laxis1 )
-                L2 = S_V3norm3 ( Laxis2 )
-                Laxis1 = Laxis1 / L1
-                Laxis2 = Laxis2 / L2
-                if ( SType2 == 2 ) Laxis2 = - Laxis2
-                GeomID = LineLine ( H, cosA, D1, D2, L12, R1, Laxis1, R2, Laxis2, TPGeomPrec )
-                L1 = 0.5d+00 * L1
-                L2 = 0.5d+00 * L2
-
-                ! Angle switch
-                if ( TPMASwitch == 0 ) then
-                        if ( GeomID == MD_LINES_PAR ) then
-                                SwitchID = 2
-                        else
-                                SwitchID = 0
-                        end if
-                else
-                        cosA2 = cosA * cosA
-                        if ( cosA2 .ge. TPMASMax .or. GeomID == MD_LINES_PAR ) then
-                                SwitchID = 2
-                        else if ( cosA2 .le. TPMASMin ) then
-                                SwitchID = 0
-                        else
-                                t = ( cosA2 - TPMASMin ) / TPMASDelta
-                                W = 1.0d+00 - t * t * ( 3.0d+00 - 2.0d+00 * t )
-                                SwitchID = 1
-                        end if
-                end if
-
-                if ( SwitchID < 2 ) then
-                        if ( Stype2 == 0 ) then
-                                IntSigna = TPMSTPotential  ( Qa, Ua, D1 - L1, D1 + L1, H, cosA, MD_LINES_NONPAR )
-                        else
-                                IntSigna = TPMSSTPotential  ( Qa, Ua, D1 - L1, D1 + L1, H, cosA, D2 - L2, TPMNN )
-                        end if
-                end if
-
-                if ( SwitchID > 0 ) then
-                        if ( Stype2 == 0 ) then
-                                call LinePoint ( H, L12, R2, Laxis2, R1 )
-                                L12 = L12 - R1
-                                call ApplyPeriodicBC ( L12 )
-                                IntSignb = TPMSTPotential  ( Qb, Ub, - L1, L1, S_V3norm3 ( L12 ), cosA, MD_LINES_PAR )
-                        else if ( Stype2 == 1 ) then
-                                IntSignb = TPMSSTPotentialPar ( Qb, Ub, R1_1, Laxis1, R2_1, Laxis2, 2.0d+00 * L1, TPMNN )
-                        else
-                                IntSignb = TPMSSTPotentialPar ( Qb, Ub, R1_1, Laxis1, R2_2, Laxis2, 2.0d+00 * L1, TPMNN )
-                        end if
-                end if
-
-                if ( SwitchID == 0 ) then
-                        Q = Qa
-                        U = Ua
-                        TPMInteractionU = IntSigna
-                else if ( SwitchID == 2 ) then
-                        Q = Qb
-                        U = Ub
-                        TPMInteractionU = IntSignb
-                else
-                        Q = W * Qa + ( 1.0d+00 - W ) * Qb
-                        U = W * Ua + ( 1.0d+00 - W ) * Ub
-                        TPMInteractionU = 0
-                        if ( IntSigna > 0 .or. IntSignb > 0 ) TPMInteractionU = 1
-                end if
-        end function TPMInteractionU !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
-
-        integer(c_int) function TPMInteractionFNum ( Q, U, F1_1, F1_2, F2_1, F2_2, R1_1, R1_2, R2_1, R2_2, Stype2, Delta )
-        real(c_double), intent(inout)                   :: Q, U
-        real(c_double), dimension(0:2), intent(inout)   :: F1_1, F1_2, F2_1, F2_2
-        real(c_double), dimension(0:2), intent(in)      :: R1_1, R1_2, R2_1, R2_2
-        integer(c_int), intent(in)                      :: SType2
-        real(c_double), intent(in)                      :: Delta
-        !-------------------------------------------------------------------------------------------
-        integer(c_int)                                  :: i, j, IntSign
-        real(c_double)                                  :: QQ, DD, D2
-        real(c_double), dimension(0:1,0:2)              :: U1_1, U1_2, U2_1, U2_2
-        real(c_double), dimension(0:2)                  :: RR
-        !-------------------------------------------------------------------------------------------
-                U = 0.0d+00
-                F1_1 = 0.0d+00
-                F1_2 = 0.0d+00
-                F2_1 = 0.0d+00
-                F2_2 = 0.0d+00
-                TPMInteractionFNum = TPMInteractionU ( Q, U, R1_1, R1_2, R2_1, R2_2, SType2 )
-                if ( TPMInteractionFNum == 0 ) return
-                D2 = 2.0d+00 * Delta
-                do i = 0, 2
-                        DD = - Delta
-                        do j = 0 , 1
-                                RR = R1_1
-                                RR(i) = RR(i) + DD
-                                IntSign = TPMInteractionU ( QQ, U1_1(j,i), RR, R1_2, R2_1, R2_2, SType2 )
-                                RR = R1_2
-                                RR(i) = RR(i) + DD
-                                IntSign = TPMInteractionU ( QQ, U1_2(j,i), R1_1, RR, R2_1, R2_2, SType2 )
-                                RR = R2_1
-                                RR(i) = RR(i) + DD;
-                                IntSign = TPMInteractionU ( QQ, U2_1(j,i), R1_1, R1_2, RR, R2_2, SType2 )
-                                RR = R2_2
-                                RR(i) = RR(i) + DD
-                                IntSign = TPMInteractionU ( QQ, U2_2(j,i), R1_1, R1_2, R2_1, RR, SType2 )
-                                DD = DD + D2
-                        end do
-                end do
-                do i = 0, 2
-                        F1_1(i) = ( U1_1(0,i) - U1_1(1,i) ) / D2
-                        F1_2(i) = ( U1_2(0,i) - U1_2(1,i) ) / D2
-                        F2_1(i) = ( U2_1(0,i) - U2_1(1,i) ) / D2
-                        F2_2(i) = ( U2_2(0,i) - U2_2(1,i) ) / D2
-                end do
-        end function TPMInteractionFNum !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
-
-!---------------------------------------------------------------------------------------------------
-! Initialization
-!---------------------------------------------------------------------------------------------------
-
-        subroutine TPMInit ( ChiIndM, ChiIndN ) !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
-        integer(c_int), intent(in)      :: ChiIndM, ChiIndN
-        real(c_double)                  :: RT, DX
-        character(len=512)              :: PDate
-        !-------------------------------------------------------------------------------------------
-                TPPotType = TP_POT_MONO_R
-
-                ! Here we calculate the radius of nanotubes
-                RT = TPBAcc * sqrt ( 3.0d+00 * ( ChiIndM * ChiIndM + ChiIndN * ChiIndN + ChiIndM * ChiIndN ) ) / M_2PI
-
-                TPMChiIndM = ChiIndM
-                TPMChiIndN = ChiIndN
-                TPMR1 = RT
-                TPMR2 = RT
-
-                TPMCaA = 0.275d+00 * ( 1.0d+00 - 1.0d+00 / ( 1.0d+00 + 0.59d+00 * RT ) )
-                TPMCeA = 0.35d+00 + 0.0226d+00 * ( RT - 6.785d+00 )
-                TPMAHmin0 = 10.0d+00 * ( RT / 6.785d+00 )**1.5
-
-                TPMHmax = TPMR1 + TPMR2 + TPBRcutoff
-                TPMDH   = TPMHmax / TPMNH1
-
-                ! Parameters of the angle switch
-                TPMASMin = sqr ( cos ( rad ( TPMAS ) ) )
-                TPMASMax = 1.0d+00 - TPGeomPrec
-                TPMASDelta = TPMASMax - TPMASMin
-
-                if ( TPMStartMode == 1 ) then
-                        TPMUnitID = OpenFile ( TPMFile, 'rt', '' )
-                        read ( unit = TPMUnitID, fmt = '()' )
-                        read ( unit = TPMUnitID, fmt = '()' )
-                        read ( unit = TPMUnitID, fmt = '()' )
-                else
-                        TPMUnitID = OpenFile ( TPMFile, 'wt', '' )
-                        write ( unit = TPMUnitID, fmt = '(a,a)' ) 'DATE (unknown)'
-                        write ( unit = TPMUnitID, fmt = '(a,i3,a,i3,a)' ) &
-                              'Tabulated data of the tubular potential for (', ChiIndM, ',', ChiIndN, ') CNTs'
-                        write ( unit = TPMUnitID, fmt = '(a)' ) &
-                              'A. N. Volkov, L. V. Zhigilei, J. Phys. Chem. C 114, 5513-5531, 2010. doi: 10.1021/jp906142h'
-                end if
-
-                call TPMSSTPInit ()
-
-                call TPMSTPInit ()
-
-                DX = TPMR1 + TPMR2 + TPBRcutoff
-                call TPMAInit ( - DX, DX, - DX, DX )
-
-                call TPMSTInit ()
-
-                call CloseFile ( TPMUnitID )
-
-        end subroutine TPMInit !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
-
-end module TubePotMono !****************************************************************************
diff --git a/lib/mesont/TubePotTrue.f90 b/lib/mesont/TubePotTrue.f90
deleted file mode 100644
index 4631cc1a1c..0000000000
--- a/lib/mesont/TubePotTrue.f90
+++ /dev/null
@@ -1,443 +0,0 @@
-! ------------ ----------------------------------------------------------
-!   LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
-!   https://www.lammps.org/ Sandia National Laboratories
-!   LAMMPS development team: developers@lammps.org
-!
-!   Copyright (2003) Sandia Corporation.  Under the terms of Contract
-!   DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains
-!   certain rights in this software.  This software is distributed under
-!   the GNU General Public License.
-!
-!   See the README file in the top-level LAMMPS directory.
-!
-!   Contributing author: Alexey N. Volkov, UA, avolkov1@ua.edu
-!-------------------------------------------------------------------------
-
-module TubePotTrue !********************************************************************************
-!
-! TMD Library: True tubular potential and transfer function
-!
-!---------------------------------------------------------------------------------------------------
-!
-! Intel Fortran
-!
-! Alexey N. Volkov, University of Alabama, avolkov1@ua.edu, Version 09.01, 2017
-!
-!---------------------------------------------------------------------------------------------------
-!
-! This module implements calculation of the true potential and transfer functions for interaction
-! between two cylinder segments of nanotubes by direct integration over the surfaces of both
-! segments.
-!
-!***************************************************************************************************
-
-use TPMGeom
-use TubePotBase
-use iso_c_binding, only : c_int, c_double, c_char
-implicit none
-
-!---------------------------------------------------------------------------------------------------
-! Constants
-!---------------------------------------------------------------------------------------------------
-
-        integer(c_int), parameter    :: TPTNXMAX     = 257
-        integer(c_int), parameter    :: TPTNEMAX     = 128
-
-!---------------------------------------------------------------------------------------------------
-! Types
-!---------------------------------------------------------------------------------------------------
-
-        type TPTSEG !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
-        real(c_double)                  :: X, Y, Z
-        real(c_double)                  :: Psi, Theta, Phi              ! Euler's angles
-        real(c_double)                  :: R                            ! Segment radius
-        real(c_double)                  :: L                            ! Segment length
-        integer(c_int)               :: NX, NE                          ! Number of nodes for numerical integration
-        real(c_double)                  :: DX, DE                       ! Spacings
-        real(c_double), dimension(0:2,0:2) :: M                         ! Transformation matrix
-        real(c_double), dimension(0:TPTNXMAX-1,0:TPTNXMAX-1,0:2) :: Rtab! Node coordinates
-        end type TPTSEG !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
-
-!---------------------------------------------------------------------------------------------------
-! Global variables
-!---------------------------------------------------------------------------------------------------
-
-        type(TPTSEG)    :: TPTSeg1, TPTSeg2     ! Two segments
-
-contains !******************************************************************************************
-
-        subroutine TPTSegAxisVector ( S, Laxis ) !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
-        type(TPTSEG), intent(in)                :: S
-        real(c_double), dimension(0:2), intent(out)     :: Laxis
-        !-------------------------------------------------------------------------------------------
-                Laxis(0:2) = S%M(2,0:2)
-        end subroutine TPTSegAxisVector !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
-
-        subroutine TPTSegRadVector ( S, Lrad, Eps ) !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
-        type(TPTSEG), intent(in)                :: S
-        real(c_double), dimension(0:2), intent(out)     :: Lrad
-        real(c_double), intent(in)                      :: Eps
-        !-------------------------------------------------------------------------------------------
-        real(c_double)                                  :: Ce, Se
-        !-------------------------------------------------------------------------------------------
-                Ce = cos ( Eps )
-                Se = sin ( Eps )
-                Lrad(0) = Ce * S%M(0,0) + Se * S%M(1,0)
-                Lrad(1) = Ce * S%M(0,1) + Se * S%M(1,1)
-                Lrad(2) = Ce * S%M(0,2) + Se * S%M(1,2)
-        end subroutine TPTSegRadVector !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
-
-        subroutine TPTRadiusVector ( S, R, X, Eps ) !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
-        type(TPTSEG), intent(in)                :: S
-        real(c_double), dimension(0:2), intent(out)     :: R
-        real(c_double), intent(in)                      :: X, Eps
-        !-------------------------------------------------------------------------------------------
-        real(c_double), dimension(0:2)                  :: Laxis, Lrad
-        !-------------------------------------------------------------------------------------------
-                call TPTSegAxisVector ( S, Laxis )
-                call TPTSegRadVector ( S, Lrad, Eps )
-                R(0) = S%X + X * Laxis(0) + S%R * Lrad(0)
-                R(1) = S%Y + X * Laxis(1) + S%R * Lrad(1)
-                R(2) = S%Z + X * Laxis(2) + S%R * Lrad(2)
-        end subroutine TPTRadiusVector !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
-
-        subroutine TPTCalcSegNodeTable ( S ) !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
-        type(TPTSEG), intent(inout)     :: S
-        !-------------------------------------------------------------------------------------------
-        real(c_double)                          :: X, Eps
-        integer(c_int)                          :: i, j
-        !-------------------------------------------------------------------------------------------
-                X = - S%L / 2.0
-                call RotationMatrix3 ( S%M, S%Psi, S%Theta, S%Phi )
-                do i = 0, S%NX - 1
-                        Eps = 0.0d+00
-                        do j = 0, S%NE - 1
-                                call TPTRadiusVector ( S, S%Rtab(i,j,0:2), X, Eps )
-                                Eps = Eps + S%DE
-                        end do
-                        X = X + S%DX
-                end do
-        end subroutine TPTCalcSegNodeTable !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
-
-        subroutine TPTSetSegPosition1 ( S, Rcenter, Laxis, L ) !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
-        type(TPTSEG), intent(inout)                     :: S
-        real(c_double), dimension(0:2), intent(in)      :: Rcenter, Laxis
-        real(c_double), intent(in)                      :: L
-        !-------------------------------------------------------------------------------------------
-                S%L  = L
-                S%DX = L / ( S%NX - 1 )
-                call EulerAngles ( S%Psi, S%Theta, Laxis )
-                S%Phi= 0.0d+00
-                S%X  = Rcenter(0)
-                S%Y  = Rcenter(1)
-                S%Z  = Rcenter(2)
-                call TPTCalcSegNodeTable ( S )
-        end subroutine TPTSetSegPosition1 !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
-
-        subroutine TPTSetSegPosition2 ( S, R1, R2 ) !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
-        type(TPTSEG), intent(inout)                     :: S
-        real(c_double), dimension(0:2), intent(in)      :: R1, R2
-        !-------------------------------------------------------------------------------------------
-        real(c_double), dimension(0:2)                  :: R, Laxis
-        real(c_double)                                  :: L
-        !-------------------------------------------------------------------------------------------
-                R = 0.5 * ( R1 + R2 )
-                Laxis = R2 - R1
-                L = S_V3norm3 ( Laxis )
-                Laxis = Laxis / L
-                call TPTSetSegPosition1 ( S, R, Laxis, L )
-        end subroutine TPTSetSegPosition2 !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
-
-        integer(c_int) function TPTCheckIntersection ( S1, S2 ) !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
-        type(TPTSEG), intent(in)        :: S1, S2
-        !-------------------------------------------------------------------------------------------
-        integer(c_int)                          :: i, j
-        real(c_double)                          :: L1, L2, Displacement, D
-        real(c_double), dimension(0:2)          :: Laxis, Q, R
-        !-------------------------------------------------------------------------------------------
-                L2 = S1%L / 2.0
-                L1 = - L2
-                call TPTSegAxisVector ( S1, Laxis )
-                R(0) = S1%X
-                R(1) = S1%Y
-                R(2) = S1%Z
-                do i = 0, S2%NX - 1
-                        do j = 0, S2%NE - 1
-                                call LinePoint ( Displacement, Q, R, Laxis, S2%Rtab(i,j,0:2) )
-                                D = sqrt ( sqr ( Q(0) - S2%Rtab(i,j,0) ) + sqr ( Q(1) - S2%Rtab(i,j,1) ) &
-                                        + sqr ( Q(2) - S2%Rtab(i,j,2) )  )
-                                if ( Displacement > L1 .and. Displacement < L2 .and. D < S1%R ) then
-                                        TPTCheckIntersection = 1
-                                        return
-                                end if
-                        end do
-                end do
-                TPTCheckIntersection = 0
-        end function TPTCheckIntersection !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
-
-        integer(c_int) function TPTCalcPointRange ( S, Xmin, Xmax, Re ) !!!!!!!!!!!!!!!!!!!!!!!!!!!!
-        type(TPTSEG), intent(in)                        :: S
-        real(c_double), intent(out)                     :: Xmin, Xmax
-        real(c_double), dimension(0:2), intent(in)      :: Re
-        !-------------------------------------------------------------------------------------------
-        real(c_double)                                  :: Displacement, Distance
-        real(c_double), dimension(0:2)                  :: Laxis, Q, R
-        !-------------------------------------------------------------------------------------------
-                call TPTSegAxisVector ( S, Laxis )
-                R(0) = S%X
-                R(1) = S%Y
-                R(2) = S%Z
-                call LinePoint ( Displacement, Q, R, Laxis, Re )
-                Distance = sqrt ( sqr ( Q(0) - Re(0) ) + sqr ( Q(1) - Re(1) ) + sqr ( Q(2) - Re(2) ) ) - S%R
-                if ( TPBRcutoff < Distance ) then
-                        Xmin = 0.0d+00
-                        Xmax = 0.0d+00
-                        TPTCalcPointRange = 0
-                        return
-                end if
-                Distance = sqrt ( TPBRcutoff * TPBRcutoff - Distance * Distance )
-                Xmin = Displacement - Distance
-                Xmax = Displacement + Distance
-                TPTCalcPointRange = 1
-        end function TPTCalcPointRange !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
-
-        subroutine TPTGetEnds ( R1_1, R1_2, R2_1, R2_2, X1_1, X1_2, X2_1, X2_2, H, A ) !!!!!!!!!!!!!
-        real(c_double), dimension(0:2), intent(out)     :: R1_1, R1_2, R2_1, R2_2
-        real(c_double), intent(in)                      :: X1_1, X1_2, X2_1, X2_2, H, A
-        !-------------------------------------------------------------------------------------------
-                R1_1(0) = 0.0d+00
-                R1_1(1) = 0.0d+00
-                R1_1(2) = X1_1
-                R1_2(0) = 0.0d+00
-                R1_2(1) = 0.0d+00
-                R1_2(2) = X1_2
-                R2_1(0) = H
-                R2_1(1) = - X2_1 * sin ( A )
-                R2_1(2) = X2_1 * cos ( A )
-                R2_2(0) = H
-                R2_2(1) = - X2_2 * sin ( A )
-                R2_2(2) = X2_2 * cos ( A )
-        end subroutine TPTGetEnds !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
-
-!---------------------------------------------------------------------------------------------------
-! Tubular potential
-!---------------------------------------------------------------------------------------------------
-
-        integer(c_int) function TPTPointPotential ( Q, U, F, R, S ) !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
-        ! This function returns the potential U and force F applied to an atom in position R and
-        ! produced by the segment S.
-        !-------------------------------------------------------------------------------------------
-        real(c_double), intent(out)                     :: Q, U
-        real(c_double), dimension(0:2), intent(out)     :: F
-        real(c_double), dimension(0:2), intent(in)      :: R
-        type(TPTSEG), intent(in)                        :: S
-        !-------------------------------------------------------------------------------------------
-        integer(c_int)                                  :: i, j
-        real(c_double), dimension(0:2)                  :: RR, FF
-        real(c_double)                                  :: QQ, UU, UUU, FFF, Rabs
-        real(c_double)                                  :: Coeff, Xmin, Xmax, X
-        !-------------------------------------------------------------------------------------------
-                TPTPointPotential = 0
-                Q = 0.0d+00
-                U = 0.0d+00
-                F = 0.0d+00
-                if ( TPTCalcPointRange ( S, Xmin, Xmax, R ) == 0 ) return
-                X = - S%L / 2.0
-                do i = 0, S%NX - 1
-                        if ( X > Xmin .and. X < Xmax ) then
-                                QQ = 0.0d+00
-                                UU = 0.0d+00
-                                FF = 0.0d+00
-                                do j = 0, S%NE - 1
-                                        RR(0:2) = S%Rtab(i,j,0:2) - R(0:2)
-                                        Rabs = S_V3norm3 ( RR )
-                                        if ( Rabs < TPBRcutoff ) then
-                                                QQ  = QQ + TPBQCalc0 ( Rabs )
-                                                call TPBUCalc1 ( UUU, FFF, Rabs )
-                                                UU  = UU + UUU
-                                                FFF = FFF / Rabs
-                                                FF  = FF + FFF * RR
-                                                TPTPointPotential = 1
-                                        end if
-                                end do
-                                if ( i == 0 .or. i == S%NX - 1 ) then
-                                        Q = Q + 0.5d+00 * QQ
-                                        U = U + 0.5d+00 * UU
-                                        F = F + 0.5d+00 * FF
-                                else
-                                        Q = Q + QQ
-                                        U = U + UU
-                                        F = F + FF
-                                end if
-                        end if
-                        X = X + S%DX
-                end do
-                Coeff = TPBD * S%DX * S%R * S%DE
-                Q = Q * S%DX * S%R * S%DE
-                U = U * Coeff
-                F = F * Coeff
-        end function TPTPointPotential !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
-
-        integer(c_int) function TPTSectionPotential ( Q, U, F, M, S, i, Ssource ) !!!!!!!!!!!!!!!!!!
-        ! This function returns the potential U, force F and torque M produced by the segment Ssource
-        ! and applied to the i-th circular cross-section of the segment S.
-        !-------------------------------------------------------------------------------------------
-        real(c_double), intent(out)                     :: Q, U
-        real(c_double), dimension(0:2), intent(out)     :: F, M
-        type(TPTSEG), intent(in)                        :: S, Ssource
-        integer(c_int), intent(in)                      :: i
-        !-------------------------------------------------------------------------------------------
-        integer(c_int)                                  :: j
-        real(c_double), dimension(0:2)                  :: R, Fp, Mp, Lrad
-        real(c_double)                                  :: Qp, Up, Eps
-        real(c_double)                                  :: Coeff
-        !-------------------------------------------------------------------------------------------
-                TPTSectionPotential = 0
-                Q = 0.0d+00
-                U = 0.0d+00
-                F = 0.0d+00
-                M = 0.0d+00
-                Eps = 0.0d+00
-                do j = 0, S%NE - 1
-                        call TPTSegRadVector ( S, Lrad, Eps )
-                        if ( TPTPointPotential ( Qp, Up, Fp, S%Rtab(i,j,0:2), Ssource ) == 1 ) then
-                                Q    = Q + Qp
-                                U    = U + Up
-                                F    = F + Fp
-                                R(0) = S%Rtab(i,j,0) - S%X
-                                R(1) = S%Rtab(i,j,1) - S%Y
-                                R(2) = S%Rtab(i,j,2) - S%Z
-                                call V3_V3xxV3 ( Mp, R, Fp )
-                                M = M + Mp
-                                TPTSectionPotential = 1
-                        end if
-                        Eps = Eps + S%DE
-                end do
-                Coeff = TPBD * S%R * S%DE
-                Q     = Q * S%R * S%DE
-                U     = U * Coeff
-                F     = F * Coeff
-                M     = M * Coeff
-        end function TPTSectionPotential !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
-
-        integer(c_int) function TPTSegmentPotential ( Q, U, F, M, S, Ssource ) !!!!!!!!!!!!!!!!!!!!!!
-        ! This function returns the potential U, force F and torque M produced by the segment
-        ! Ssource and applied to the segment S.
-        !-------------------------------------------------------------------------------------------
-        real(c_double), intent(out)                     :: Q, U
-        real(c_double), dimension(0:2), intent(out)     :: F, M
-        type(TPTSEG), intent(in)                :: S, Ssource
-        integer(c_int)                               :: i
-        real(c_double), dimension(0:2)                  :: Fc, Mc
-        real(c_double)                                  :: Qc, Uc
-        !-------------------------------------------------------------------------------------------
-                TPTSegmentPotential = 0
-                Q = 0.0d+00
-                U = 0.0d+00
-                F = 0.0d+00
-                M = 0.0d+00
-                if ( TPTCheckIntersection ( S, Ssource ) == 1 ) then
-                         TPTSegmentPotential = 2
-                        return
-                end if
-                do i = 0, S%NX - 1
-                        if ( TPTSectionPotential ( Qc, Uc, Fc, Mc, S, i, Ssource ) == 1 ) then
-                                if ( i == 0 .or. i == S%NX - 1 ) then
-                                        Q = Q + 0.5d+00 * Qc
-                                        U = U + 0.5d+00 * Uc
-                                        F = F + 0.5d+00 * Fc
-                                        M = M + 0.5d+00 * Mc
-                                else
-                                        Q = Q + Qc
-                                        U = U + Uc
-                                        F = F + Fc
-                                        M = M + Mc
-                                end if
-                                TPTSegmentPotential = 1
-                        end if
-                end do
-                Q = Q * S%DX
-                U = U * S%DX
-                F = F * S%DX
-                M = M * S%DX
-        end function TPTSegmentPotential !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
-
-!---------------------------------------------------------------------------------------------------
-! Forces
-!---------------------------------------------------------------------------------------------------
-
-        subroutine TPTSegmentForces ( F1, F2, F, M, Laxis, L ) !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
-        real(c_double), dimension(0:2), intent(out)     :: F1, F2
-        real(c_double), dimension(0:2), intent(in)      :: F, M, Laxis
-        real(c_double), intent(in)                      :: L
-        !-------------------------------------------------------------------------------------------
-        real(c_double), dimension(0:2)                  :: MM, FF, FFF
-        !-------------------------------------------------------------------------------------------
-                FF = 0.5d+00 * F
-                MM = M / L
-                call V3_V3xxV3 ( FFF, MM, Laxis )
-                F1 = FF - FFF
-                F2 = FF + FFF
-        end subroutine TPTSegmentForces !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
-
-        integer(c_int) function TPTInteractionF ( Q, U, F1_1, F1_2, F2_1, F2_2, R1_1, R1_2, R2_1, R2_2 )
-        ! This function returns the potential and forces applied to the ends of segments.
-        !-------------------------------------------------------------------------------------------
-        real(c_double), intent(out)                     :: Q, U
-        real(c_double), dimension(0:2), intent(out)     :: F1_1, F1_2, F2_1, F2_2
-        real(c_double), dimension(0:2), intent(in)      :: R1_1, R1_2, R2_1, R2_2
-        !-------------------------------------------------------------------------------------------
-        real(c_double), dimension(0:2)                  :: R1, R2, Laxis1, Laxis2, DR, F1, M1, F2, M2
-        real(c_double)                                  :: L1, L2
-        !-------------------------------------------------------------------------------------------
-                R1 = 0.5 * ( R1_1 + R1_2 )
-                R2 = 0.5 * ( R2_1 + R2_2 )
-                Laxis1 = R1_2 - R1_1
-                Laxis2 = R2_2 - R2_1
-                L1 = S_V3norm3 ( Laxis1 )
-                L2 = S_V3norm3 ( Laxis2 )
-                Laxis1 = Laxis1 / L1
-                Laxis2 = Laxis2 / L2
-                DR = R2 - R1
-                call TPTSetSegPosition1 ( TPTSeg1, R1, Laxis1, L1 )
-                call TPTSetSegPosition1 ( TPTSeg2, R2, Laxis2, L2 )
-                TPTInteractionF = TPTSegmentPotential ( Q, U, F1, M1, TPTSeg1, TPTSeg2 )
-                if ( TPTInteractionF .ne. 1 ) return
-                call V3_V3xxV3 ( M2, DR, F1 )
-                F2 = - F1
-                M2 = - M1 - M2
-                call TPTSegmentForces ( F1_1, F1_2, F1, M1, Laxis1, L1 )
-                call TPTSegmentForces ( F2_1, F2_2, F2, M2, Laxis2, L2 )
-        end function TPTInteractionF !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
-
-!---------------------------------------------------------------------------------------------------
-! Initialization
-!---------------------------------------------------------------------------------------------------
-
-        subroutine TPTInit ( R1, R2, NX, NE ) !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
-        real(c_double), intent(in)      :: R1, R2
-        integer(c_int), intent(in)   :: NX, NE
-        !-------------------------------------------------------------------------------------------
-                TPTSeg1%X     = 0.0d+00
-                TPTSeg1%Y     = 0.0d+00
-                TPTSeg1%Z     = 0.0d+00
-                TPTSeg1%Psi   = 0.0d+00
-                TPTSeg1%Theta = 0.0d+00
-                TPTSeg1%Phi   = 0.0d+00
-                TPTSeg1%R     = R1
-                TPTSeg1%NX    = NX
-                TPTSeg1%NE    = NE
-                TPTSeg1%DE    = M_2PI / NE
-                TPTSeg2%X     = 0.0d+00
-                TPTSeg2%Y     = 0.0d+00
-                TPTSeg2%Z     = 0.0d+00
-                TPTSeg2%Psi   = 0.0d+00
-                TPTSeg2%Theta = 0.0d+00
-                TPTSeg2%Phi   = 0.0d+00
-                TPTSeg2%R     = R2
-                TPTSeg2%NX    = NX
-                TPTSeg2%NE    = NE
-                TPTSeg2%DE    = M_2PI / NE
-        end subroutine TPTInit !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
-
-end module TubePotTrue !****************************************************************************
diff --git a/src/MESONT/Install.sh b/src/MESONT/Install.sh
deleted file mode 100644
index 6fa76f3e3c..0000000000
--- a/src/MESONT/Install.sh
+++ /dev/null
@@ -1,79 +0,0 @@
-# Install/unInstall package files in LAMMPS
-# mode = 0/1/2 for uninstall/install/update
-
-mode=$1
-
-# enforce using portable C locale
-LC_ALL=C
-export LC_ALL
-
-# arg1 = file, arg2 = file it depends on
-
-action () {
-  if (test $mode = 0) then
-    rm -f ../$1
-  elif (! cmp -s $1 ../$1) then
-    if (test -z "$2" || test -e ../$2) then
-      cp $1 ..
-      if (test $mode = 2) then
-        echo "  updating src/$1"
-      fi
-    fi
-  elif (test -n "$2") then
-    if (test ! -e ../$2) then
-      rm -f ../$1
-    fi
-  fi
-}
-
-# list of files with optional dependencies
-action angle_mesocnt.cpp
-action angle_mesocnt.h
-action bond_mesocnt.cpp bond_harmonic.cpp
-action bond_mesocnt.h bond_harmonic.h
-action compute_mesont.cpp
-action compute_mesont.h
-action pair_mesocnt.cpp
-action pair_mesocnt.h
-action pair_mesocnt_viscous.cpp
-action pair_mesocnt_viscous.h
-
-action export_mesont.h
-action atom_vec_mesont.cpp
-action atom_vec_mesont.h
-action pair_mesont_tpm.cpp
-action pair_mesont_tpm.h
-
-# edit 2 Makefile.package files to include/exclude package info
-
-if (test $1 = 1) then
-
-  if (test -e ../Makefile.package) then
-    sed -i -e 's/[^ \t]*mesont[^ \t]* //' ../Makefile.package
-    sed -i -e 's|^PKG_INC =[ \t]*|&-I../../lib/mesont |' ../Makefile.package
-    sed -i -e 's|^PKG_PATH =[ \t]*|&-L../../lib/mesont |' ../Makefile.package
-    sed -i -e 's|^PKG_LIB =[ \t]*|&-lmesont |' ../Makefile.package
-    sed -i -e 's|^PKG_SYSINC =[ \t]*|&$(mesont_SYSINC) |' ../Makefile.package
-    sed -i -e 's|^PKG_SYSLIB =[ \t]*|&$(mesont_SYSLIB) |' ../Makefile.package
-    sed -i -e 's|^PKG_SYSPATH =[ \t]*|&$(mesont_SYSPATH) |' ../Makefile.package
-  fi
-
-  if (test -e ../Makefile.package.settings) then
-    sed -i -e '/^[ \t]*include.*mesont.*$/d' ../Makefile.package.settings
-    # multiline form needed for BSD sed on Macs
-    sed -i -e '4 i \
-include ..\/..\/lib\/mesont\/Makefile.lammps
-' ../Makefile.package.settings
-  fi
-
-elif (test $1 = 0) then
-
-  if (test -e ../Makefile.package) then
-    sed -i -e 's/[^ \t]*mesont[^ \t]* //' ../Makefile.package
-  fi
-
-  if (test -e ../Makefile.package.settings) then
-    sed -i -e '/^[ \t]*include.*mesont.*$/d' ../Makefile.package.settings
-  fi
-
-fi
diff --git a/src/MESONT/README b/src/MESONT/README
index 0c66cb7b82..4a2eca2989 100644
--- a/src/MESONT/README
+++ b/src/MESONT/README
@@ -9,33 +9,20 @@ is provided in the papers listed below.
 
 --
 
-This package was created by Maxim Shugaev (mvs9t@virginia.edu)
+This package was originally created by Maxim Shugaev (mvs9t@virginia.edu)
 at the University of Virginia.
 The Fortran library implementing basic level functions describing stretching,
 bending, and intertube components of the mesoscopic CNT force field, used
-by this package is developed by Alexey N. Volkov (avolkov1@ua.edu)
+by this package was developed by Alexey N. Volkov (avolkov1@ua.edu)
 at the University of Alabama.
 
---
+Since then the functionality has been re-implemented in C++ by
+Philipp Kloza (U Cambridge) with some additions and the Fortran
+implementation was removed in early 2023 since C++ version is
+faster and easier to compile and maintain.
 
-The following commands are contained in this package:
-
-atom_style mesont
-  This command enables mesont atom_style containing variables used for
-  further commands in MESONT.
-
-pair_style mesont/tpm cut table_path BendingMode TPMType
-  This command activates a pair_style describing CNT mesoscopic tubular
-  potential model (TPM) force field. "cut" is cutoff distance that should
-  be set to be at least max(2.0*L, sqrt(L^2/2 + (2.0*R + Tcut)^2)),
-  where L is the maximum segment length, R is the maximum tube radius,
-  and Tcut = 10.2 A is the maximum distance between surfaces of interacting
-  segments. However, the recommended cutoff is 3L.
-
-compute mesont
-  This command allows evaluation of per atom and total values of stretching,
-  bending, and intertube interaction components of energies. Use the following
-  flags: 'estretch', 'ebend', 'etube'.
+Please see the LAMMPS manual for more information about this package
+and how to install and use it.
 
 --
 
diff --git a/src/MESONT/atom_vec_mesont.cpp b/src/MESONT/atom_vec_mesont.cpp
deleted file mode 100644
index 23cb4b8146..0000000000
--- a/src/MESONT/atom_vec_mesont.cpp
+++ /dev/null
@@ -1,47 +0,0 @@
-/* ----------------------------------------------------------------------
-   LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
-   https://www.lammps.org/, Sandia National Laboratories
-   LAMMPS development team: developers@lammps.org
-
-   Copyright (2003) Sandia Corporation.  Under the terms of Contract
-   DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains
-   certain rights in this software.  This software is distributed under
-   the GNU General Public License.
-
-   See the README file in the top-level LAMMPS directory.
-
-   Contributing author: Maxim Shugaev (UVA), mvs9t@virginia.edu
-------------------------------------------------------------------------- */
-
-#include "atom_vec_mesont.h"
-#include "atom.h"
-
-using namespace LAMMPS_NS;
-
-/* ---------------------------------------------------------------------- */
-
-AtomVecMesoNT::AtomVecMesoNT(LAMMPS *lmp) : AtomVec(lmp)
-{
-  molecular = Atom::ATOMIC;
-  mass_type = PER_TYPE;
-
-  atom->mesont_flag = 1;
-
-  // strings with peratom variables to include in each AtomVec method
-  // strings cannot contain fields in corresponding AtomVec default strings
-  // order of fields in a string does not matter
-  // except: fields_data_atom & fields_data_vel must match data file
-
-  fields_grow = {"rmass", "radius", "length", "buckling", "bond_nt", "molecule"};
-  fields_copy = {"rmass", "radius", "length", "buckling", "bond_nt", "molecule"};
-  fields_border = {"rmass", "radius", "length", "buckling", "bond_nt", "molecule"};
-  fields_border_vel = {"rmass", "radius", "length", "buckling", "bond_nt", "molecule"};
-  fields_exchange = {"rmass", "radius", "length", "buckling", "bond_nt", "molecule"};
-  fields_restart = {"rmass", "radius", "length", "buckling", "bond_nt", "molecule"};
-  fields_create = {"rmass", "radius", "length", "buckling", "bond_nt", "molecule"};
-  fields_data_atom = {"id",     "molecule", "type",     "bond_nt", "rmass",
-                      "radius", "length",   "buckling", "x"};
-  fields_data_vel = {"id", "v"};
-
-  setup_fields();
-}
diff --git a/src/MESONT/atom_vec_mesont.h b/src/MESONT/atom_vec_mesont.h
deleted file mode 100644
index 44f3f97084..0000000000
--- a/src/MESONT/atom_vec_mesont.h
+++ /dev/null
@@ -1,37 +0,0 @@
-/* -*- c++ -*- ----------------------------------------------------------
-   LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
-   https://www.lammps.org/, Sandia National Laboratories
-   LAMMPS development team: developers@lammps.org
-
-   Copyright (2003) Sandia Corporation.  Under the terms of Contract
-   DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains
-   certain rights in this software.  This software is distributed under
-   the GNU General Public License.
-
-   See the README file in the top-level LAMMPS directory.
-
-   Contributing author: Maxim Shugaev (UVA), mvs9t@virginia.edu
-------------------------------------------------------------------------- */
-
-#ifdef ATOM_CLASS
-// clang-format off
-AtomStyle(mesont,AtomVecMesoNT);
-// clang-format on
-#else
-
-#ifndef LMP_ATOM_VEC_MESONT_H
-#define LMP_ATOM_VEC_MESONT_H
-
-#include "atom_vec.h"
-
-namespace LAMMPS_NS {
-
-class AtomVecMesoNT : virtual public AtomVec {
- public:
-  AtomVecMesoNT(class LAMMPS *);
-};
-
-}    // namespace LAMMPS_NS
-
-#endif
-#endif
diff --git a/src/MESONT/compute_mesont.cpp b/src/MESONT/compute_mesont.cpp
deleted file mode 100644
index a2831e5d7a..0000000000
--- a/src/MESONT/compute_mesont.cpp
+++ /dev/null
@@ -1,156 +0,0 @@
-// clang-format off
-/* -*- c++ -*- ----------------------------------------------------------
-   LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
-   https://www.lammps.org/, Sandia National Laboratories
-   LAMMPS development team: developers@lammps.org
-
-   Copyright (2003) Sandia Corporation.  Under the terms of Contract
-   DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains
-   certain rights in this software.  This software is distributed under
-   the GNU General Public License.
-
-   See the README file in the top-level LAMMPS directory.
-
-   Contributing author: Maxim Shugaev (UVA), mvs9t@virginia.edu
-------------------------------------------------------------------------- */
-
-#include "compute_mesont.h"
-
-#include "atom.h"
-#include "comm.h"
-#include "error.h"
-#include "force.h"
-#include "memory.h"
-#include "pair.h"
-#include "update.h"
-
-using namespace LAMMPS_NS;
-
-/* ---------------------------------------------------------------------- */
-
-ComputeMesoNT::ComputeMesoNT(LAMMPS *lmp, int narg, char **arg) :
- Compute(lmp, narg, arg), energy(nullptr) {
-  if (narg != 4) error->all(FLERR,"Illegal compute mesont command");
-
-  std::string ctype = arg[3];
-  if (ctype == "estretch") compute_type = ES;
-  else if (ctype == "ebend") compute_type = EB;
-  else if (ctype == "etube") compute_type = ET;
-  else error->all(FLERR,"Illegal compute mesont command");
-
-  peratom_flag = 1;
-  size_peratom_cols = 0;
-  peatomflag = 1;
-  timeflag = 1;
-  comm_reverse = 1;
-  extscalar = 1;
-  scalar_flag = 1;
-  nmax = 0;
-}
-
-/* ---------------------------------------------------------------------- */
-
-ComputeMesoNT::~ComputeMesoNT() {
-  memory->destroy(energy);
-}
-
-/* ---------------------------------------------------------------------- */
-
-double ComputeMesoNT::compute_scalar() {
-  invoked_scalar = update->ntimestep;
-  if (update->eflag_global != invoked_scalar)
-    error->all(FLERR,"Energy was not tallied on needed timestep");
-
-  int i;
-  double* ptr = nullptr;
-  if (compute_type == ES)
-   ptr = static_cast<double*>(force->pair->extract("mesonttpm_Es_tot",i));
-  else if (compute_type == EB)
-   ptr = static_cast<double*>(force->pair->extract("mesonttpm_Eb_tot",i));
-  else if (compute_type == ET)
-   ptr = static_cast<double*>(force->pair->extract("mesonttpm_Et_tot",i));
-  else error->all(FLERR,"Illegal compute mesont command");
-
-  if (!ptr) error->all(FLERR,
-   "compute mesont is allowed only with mesont/tpm pair style");
-  MPI_Allreduce(ptr,&scalar,1,MPI_DOUBLE,MPI_SUM,world);
-
-  return scalar;
-}
-
-/* ---------------------------------------------------------------------- */
-
-void ComputeMesoNT::compute_peratom() {
-  invoked_peratom = update->ntimestep;
-  if (update->eflag_atom != invoked_peratom)
-    error->all(FLERR,"Per-atom energy was not tallied on needed timestep");
-
-  // grow local energy array if necessary
-  // needs to be atom->nmax in length
-  if (atom->nmax > nmax) {
-    memory->destroy(energy);
-    nmax = atom->nmax;
-    memory->create(energy,nmax,"mesont_Eb:energy");
-    vector_atom = energy;
-  }
-
-  // npair includes ghosts if newton_bond is set
-  // ntotal includes ghosts if either newton flag is set
-  int nlocal = atom->nlocal;
-  int npair = nlocal;
-  if (force->newton) npair += atom->nghost;
-  int ntotal = nlocal;
-  if (force->newton) ntotal += atom->nghost;
-  int i;
-  // clear local energy array
-  for (int i = 0; i < ntotal; i++) energy[i] = 0.0;
-  double* ptr = nullptr;
-  if (compute_type == ES)
-   ptr = static_cast<double*>(force->pair->extract("mesonttpm_Es",i));
-  else if (compute_type == EB)
-   ptr = static_cast<double*>(force->pair->extract("mesonttpm_Eb",i));
-  else if (compute_type == ET)
-   ptr = static_cast<double*>(force->pair->extract("mesonttpm_Et",i));
-  else error->all(FLERR,"Illegal compute mesont command");
-
-  if (ptr) for (i = 0; i < npair; i++) energy[i] += ptr[i];
-  else error->all(FLERR,
-   "compute mesont is allowed only with mesont/tpm pair style");
-
-  // communicate ghost energy between neighbor procs
-  if (force->newton) comm->reverse_comm(this);
-
-  // zero energy of atoms not in group
-  // only do this after comm since ghost contributions must be included
-  int *mask = atom->mask;
-  for (int i = 0; i < nlocal; i++)
-    if (!(mask[i] & groupbit)) energy[i] = 0.0;
-}
-
-/* ---------------------------------------------------------------------- */
-
-int ComputeMesoNT::pack_reverse_comm(int n, int first, double *buf) {
-  int m = 0;
-  int last = first + n;
-  for (int i = first; i < last; i++) buf[m++] = energy[i];
-  return m;
-}
-
-/* ---------------------------------------------------------------------- */
-
-void ComputeMesoNT::unpack_reverse_comm(int n, int *list, double *buf) {
-  int m = 0;
-  for (int i = 0; i < n; i++) {
-    int j = list[i];
-    energy[j] += buf[m++];
-  }
-}
-
-/* ----------------------------------------------------------------------
-   memory usage of local atom-based array
-------------------------------------------------------------------------- */
-
-double ComputeMesoNT::memory_usage() {
-  double bytes = (double)nmax * sizeof(double);
-  return bytes;
-}
diff --git a/src/MESONT/compute_mesont.h b/src/MESONT/compute_mesont.h
deleted file mode 100644
index 893d61a990..0000000000
--- a/src/MESONT/compute_mesont.h
+++ /dev/null
@@ -1,51 +0,0 @@
-/* -*- c++ -*- ----------------------------------------------------------
-   LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
-   https://www.lammps.org/, Sandia National Laboratories
-   LAMMPS development team: developers@lammps.org
-
-   Copyright (2003) Sandia Corporation.  Under the terms of Contract
-   DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains
-   certain rights in this software.  This software is distributed under
-   the GNU General Public License.
-
-   See the README file in the top-level LAMMPS directory.
-
-   Contributing author: Maxim Shugaev (UVA), mvs9t@virginia.edu
-------------------------------------------------------------------------- */
-
-#ifdef COMPUTE_CLASS
-// clang-format off
-ComputeStyle(mesont,ComputeMesoNT);
-// clang-format on
-#else
-
-#ifndef LMP_COMPUTE_MESONT_ATOM_H
-#define LMP_COMPUTE_MESONT_ATOM_H
-
-#include "compute.h"
-
-namespace LAMMPS_NS {
-
-class ComputeMesoNT : public Compute {
- public:
-  ComputeMesoNT(class LAMMPS *, int, char **);
-  ~ComputeMesoNT() override;
-  void init() override {}
-  void compute_peratom() override;
-  double compute_scalar() override;
-  int pack_reverse_comm(int, int, double *) override;
-  void unpack_reverse_comm(int, int *, double *) override;
-  double memory_usage() override;
-
- private:
-  int nmax;
-  double *energy;
-
-  enum ComputeType { ES, EB, ET };
-  ComputeType compute_type;
-};
-
-}    // namespace LAMMPS_NS
-
-#endif
-#endif
diff --git a/src/MESONT/export_mesont.h b/src/MESONT/export_mesont.h
deleted file mode 100644
index 92ce1acf95..0000000000
--- a/src/MESONT/export_mesont.h
+++ /dev/null
@@ -1,48 +0,0 @@
-/* -*- c++ -*- ----------------------------------------------------------
-   LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
-   https://www.lammps.org/, Sandia National Laboratories
-   LAMMPS development team: developers@lammps.org
-
-   Copyright (2003) Sandia Corporation.  Under the terms of Contract
-   DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains
-   certain rights in this software.  This software is distributed under
-   the GNU General Public License.
-
-   See the README file in the top-level LAMMPS directory.
-
-   Contributing author: Maxim Shugaev (UVA), mvs9t@virginia.edu
-------------------------------------------------------------------------- */
-
-#ifdef __cplusplus
-extern "C" {
-#endif
-// see ExportCNT.f90 in lib/mesont for function details
-void mesont_lib_TPBInit();
-void mesont_lib_TPMInit(const int &M, const int &N);
-void mesont_lib_SetTablePath(const char *TPMFile, const int &N);
-
-void mesont_lib_InitCNTPotModule(const int &STRModel, const int &STRParams, const int &YMType,
-                                 const int &BNDModel, const double &Rref);
-
-double mesont_lib_get_R();
-
-void mesont_lib_TubeStretchingForceField(double &U1, double &U2, double *F1, double *F2, double *S1,
-                                         double *S2, const double *X1, const double *X2,
-                                         const double &R12, const double &L12);
-
-void mesont_lib_TubeBendingForceField(double &U1, double &U2, double &U3, double *F1, double *F2,
-                                      double *F3, double *S1, double *S2, double *S3,
-                                      const double *X1, const double *X2, const double *X3,
-                                      const double &R123, const double &L123, int &BBF2);
-
-void mesont_lib_SegmentTubeForceField(double &U1, double &U2, double *U, double *F1, double *F2,
-                                      double *F, double *Fe, double *S1, double *S2, double *S,
-                                      double *Se, const double *X1, const double *X2,
-                                      const double &R12, const int &N, const double *X,
-                                      const double *Xe, const int *BBF, const double &R,
-                                      const int &E1, const int &E2, const int &Ee,
-                                      const int &TPMType);
-
-#ifdef __cplusplus
-}
-#endif
diff --git a/src/MESONT/pair_mesont_tpm.cpp b/src/MESONT/pair_mesont_tpm.cpp
deleted file mode 100644
index 39582f3e6a..0000000000
--- a/src/MESONT/pair_mesont_tpm.cpp
+++ /dev/null
@@ -1,777 +0,0 @@
-// clang-format off
-/* -*- c++ -*- ----------------------------------------------------------
-   LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
-   https://www.lammps.org/, Sandia National Laboratories
-   LAMMPS development team: developers@lammps.org
-
-   Copyright (2003) Sandia Corporation.  Under the terms of Contract
-   DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains
-   certain rights in this software.  This software is distributed under
-   the GNU General Public License.
-
-   See the README file in the top-level LAMMPS directory.
-   Contributing author: Maxim Shugaev (UVA), mvs9t@virginia.edu
-------------------------------------------------------------------------- */
-
-#include "pair_mesont_tpm.h"
-#include "export_mesont.h"
-
-#include "atom.h"
-#include "comm.h"
-#include "force.h"
-#include "memory.h"
-#include "error.h"
-#include "neighbor.h"
-#include "neigh_list.h"
-
-#include <cstring>
-#include <cmath>
-
-#include <array>
-#include <fstream>
-#include <algorithm>
-
-using namespace LAMMPS_NS;
-
-class MESONTList {
-public:
-  MESONTList(const Atom* atom, const NeighList* nblist);
-  ~MESONTList() = default;;
-  //list of segments
-  const std::vector<std::array<int,2>>& get_segments() const;
-  //list of triplets
-  const std::vector<std::array<int,3>>& get_triplets() const;
-  //list of neighbor chains [start,end] for segments
-  //(use idx() to get real indexes)
-  const std::vector<std::vector<std::array<int,2>>>& get_nbs() const;
-  //convert idx from sorted representation to real idx
-  int get_idx(int idx) const;
-  //return list of indexes for conversion from sorted representation
-  const std::vector<int>& get_idx_list() const;
-  //convert idx from real idx to sorted representation
-  int get_idxb(int idx) const;
-  //return list of indexes for conversion to sorted representation
-  const std::vector<int>& get_idxb_list() const;
-  //check if the node is the end of the tube
-  bool is_end(int idx) const;
-
-  std::array<int,2> get_segment(int idx) const;
-  std::array<int,3> get_triplet(int idx) const;
-
-  static const int cnt_end = -1;
-  static const int domain_end = -2;
-  static const int not_cnt = -3;
-private:
-  std::vector<std::array<int,2>> chain_list, segments;
-  std::vector<std::array<int,3>> triplets;
-  std::vector<std::vector<std::array<int,2>>> nb_chains;
-  std::vector<int> index_list, index_list_b;
-};
-
-//=============================================================================
-
-inline const std::vector<std::vector<std::array<int,2>>> &
- MESONTList::get_nbs() const {
-  return nb_chains;
-}
-
-inline int MESONTList::get_idx(int idx) const {
-  return index_list[idx];
-}
-
-inline const std::vector<int>& MESONTList::get_idx_list() const {
-  return index_list;
-};
-
-
-inline int MESONTList::get_idxb(int idx) const {
-  return index_list_b[idx];
-}
-
-inline const std::vector<int>& MESONTList::get_idxb_list() const {
-  return index_list_b;
-};
-
-inline const std::vector<std::array<int,2>> & MESONTList::get_segments()
- const {
-  return segments;
-}
-
-inline const std::vector<std::array<int,3>> & MESONTList::get_triplets()
- const {
-  return triplets;
-}
-
-inline std::array<int,2> MESONTList::get_segment(int idx) const {
-  std::array<int,2> result;
-  result[0] = chain_list[idx][0];
-  result[1] = idx;
-  return result;
-}
-
-inline std::array<int,3> MESONTList::get_triplet(int idx) const {
-  std::array<int,3> result;
-  result[0] = chain_list[idx][0];
-  result[1] = idx;
-  result[2] = chain_list[idx][1];
-  return result;
-}
-
-inline bool MESONTList::is_end(int idx) const {
-  return chain_list[idx][0] == cnt_end || chain_list[idx][1] == cnt_end;
-};
-
-template<typename T>
-void vector_union(std::vector<T>& v1, std::vector<T>& v2,
- std::vector<T>& merged) {
-  std::sort(v1.begin(), v1.end());
-  std::sort(v2.begin(), v2.end());
-  merged.reserve(v1.size() + v2.size());
-  typename std::vector<T>::iterator it1 = v1.begin();
-  typename std::vector<T>::iterator it2 = v2.begin();
-
-  while (it1 != v1.end() && it2 != v2.end()) {
-    if (*it1 < *it2) {
-      if (merged.empty() || merged.back() < *it1) merged.push_back(*it1);
-        ++it1;
-    }
-    else {
-      if (merged.empty() || merged.back() < *it2) merged.push_back(*it2);
-      ++it2;
-    }
-  }
-  while (it1 != v1.end()) {
-    if (merged.empty() || merged.back() < *it1) merged.push_back(*it1);
-    ++it1;
-  }
-
-  while (it2 != v2.end()) {
-  if (merged.empty() || merged.back() < *it2) merged.push_back(*it2);
-    ++it2;
-  }
-}
-
-MESONTList::MESONTList(const Atom* atom, const NeighList* nblist) {
-  if (atom == nullptr || nblist == nullptr) return;
-  //number of local atoms at the node
-  int nlocal = atom->nlocal;
-  //total number of atoms in the node and ghost shell treated as NTs
-  int nall = nblist->inum + nblist->gnum;
-  //total number of atoms in the node and ghost shell
-  int ntot = atom->nlocal + atom->nghost;
-  tagint* const g_id = atom->tag;
-  tagint** const bonds = atom->bond_nt;
-  tagint* const chain_id = atom->molecule;
-  int* ilist = nblist->ilist;
-
-  //convert bonds to local id representation
-  chain_list.resize(ntot, {not_cnt,not_cnt});
-  for (int ii = 0; ii < nall; ii++) {
-    int i = ilist[ii];
-    chain_list[i][0] = domain_end;
-    chain_list[i][1] = domain_end;
-  }
-  for (int ii = 0; ii < nall; ii++) {
-    int i = ilist[ii];
-    int nnb = nblist->numneigh[i];
-    for (int m = 0; m < 2; m++)
-      if (bonds[i][m] == cnt_end) chain_list[i][m] = cnt_end;
-    for (int j = 0; j < nnb; j++) {
-      int nb = nblist->firstneigh[i][j];
-      if (bonds[i][0] == g_id[nb]) {
-        chain_list[i][0] = nb;
-        chain_list[nb][1] = i;
-        break;
-      }
-    }
-  }
-
-  //reorder chains: index list
-  //list of indexes for conversion FROM reordered representation
-  index_list.reserve(nall);
-  index_list_b.resize(ntot, -1); // convert index TO reordered representation
-  for (int i = 0; i < ntot; i++) {
-    if (chain_list[i][0] == cnt_end || chain_list[i][0] == domain_end) {
-      index_list.push_back(i);
-      index_list_b[i] = index_list.size() - 1;
-      int idx = i;
-      while (true) {
-        idx = chain_list[idx][1];
-        if (idx == cnt_end || idx == domain_end) break;
-        else index_list.push_back(idx);
-        index_list_b[idx] = index_list.size() - 1;
-      }
-    }
-  }
-
-  //segment list
-  for (int i = 0; i < nlocal; i++) {
-    if (chain_list[i][0] == not_cnt) continue;
-    if (chain_list[i][0] != cnt_end && chain_list[i][0] != domain_end &&
-     g_id[i] < g_id[chain_list[i][0]])
-      segments.push_back({i,chain_list[i][0]});
-    if (chain_list[i][1] != cnt_end && chain_list[i][1] != domain_end &&
-     g_id[i] < g_id[chain_list[i][1]])
-      segments.push_back({i,chain_list[i][1]});
-  }
-  int nbonds = segments.size();
-
-  //triplets
-  for (int i = 0; i < nlocal; i++) {
-    if (chain_list[i][0] == not_cnt) continue;
-    if (chain_list[i][0] != cnt_end && chain_list[i][0] != domain_end &&
-     chain_list[i][1] != cnt_end && chain_list[i][1] != domain_end)
-      triplets.push_back(get_triplet(i));
-  }
-
-  //segment neighbor list
-  nb_chains.resize(nbonds);
-  std::vector<int> nb_list_i[2], nb_list;
-  for (int i = 0; i < nbonds; i++) {
-    //union of nb lists
-    for (int m = 0; m < 2; m++) {
-      nb_list_i[m].resize(0);
-      int idx = segments[i][m];
-      if (idx >= nlocal) continue;
-      int nnb = nblist->numneigh[idx];
-      for (int j = 0; j < nnb; j++) {
-        int jdx = nblist->firstneigh[idx][j];
-        //no self interactions for nbs within the same tube
-        if (chain_id[jdx] == chain_id[idx] &&
-         std::abs(index_list_b[idx] - index_list_b[jdx]) <= 5) continue;
-        nb_list_i[m].push_back(index_list_b[jdx]);
-      }
-    }
-    vector_union(nb_list_i[0], nb_list_i[1], nb_list);
-
-    int nnb = nb_list.size();
-    if (nnb > 0) {
-      int idx_s = nb_list[0];
-      for (int j = 0; j < nnb; j++) {
-        //if nodes are not continuous in the sorted representation
-        //or represent chain ends, create a new neighbor chain
-        int idx_next = chain_list[index_list[nb_list[j]]][1];
-        if ((j == nnb - 1) || (nb_list[j] + 1 != nb_list[j+1]) ||
-         (idx_next == cnt_end) || (idx_next == domain_end)) {
-          std::array<int,2> chain;
-          chain[0] = idx_s;
-          chain[1] = nb_list[j];
-          //make sure that segments having at least one node
-          //in the neighbor list are included
-          int idx0 = index_list[chain[0]]; // real id of the ends
-          int idx1 = index_list[chain[1]];
-          if (chain_list[idx0][0] != cnt_end &&
-           chain_list[idx0][0] != domain_end) chain[0] -= 1;
-          if (chain_list[idx1][1] != cnt_end &&
-           chain_list[idx1][1] != domain_end) chain[1] += 1;
-          if (chain[0] != chain[1]) nb_chains[i].push_back(chain);
-          idx_s = (j == nnb - 1) ? -1 : nb_list[j + 1];
-        }
-      }
-    }
-    nb_list.resize(0);
-  }
-}
-
-/* ---------------------------------------------------------------------- */
-
-// the cutoff distance between walls of tubes
-static const double TPBRcutoff  = 3.0*3.4;
-int PairMESONTTPM::instance_count = 0;
-/* ---------------------------------------------------------------------- */
-
-PairMESONTTPM::PairMESONTTPM(LAMMPS *lmp) : Pair(lmp) {
-  writedata=1;
-  BendingMode = 0;  // Harmonic bending model
-  TPMType = 0;      // Inter-tube segment-segment interaction
-  tab_path = nullptr;
-  tab_path_length = 0;
-
-  eatom_s = nullptr;
-  eatom_b = nullptr;
-  eatom_t = nullptr;
-  nmax = 0;
-  instance_count++;
-  if (instance_count > 1) error->all(FLERR,
-   "only a single instance of mesont/tpm pair style can be created");
-}
-
-/* ---------------------------------------------------------------------- */
-
-PairMESONTTPM::~PairMESONTTPM()
-{
-  if (allocated) {
-    memory->destroy(setflag);
-    memory->destroy(cutsq);
-    memory->destroy(cut);
-
-    memory->destroy(eatom_s);
-    memory->destroy(eatom_b);
-    memory->destroy(eatom_t);
-  }
-  instance_count--;
-  if (tab_path != nullptr) memory->destroy(tab_path);
-}
-
-/* ---------------------------------------------------------------------- */
-
-void PairMESONTTPM::compute(int eflag, int vflag) {
-  // set per atom values and accumulators
-  // reallocate per-atom arrays if necessary
-  ev_init(eflag,vflag);
-  if (atom->nmax > nmax && eflag_atom) {
-    memory->destroy(eatom_s);
-    memory->create(eatom_s,comm->nthreads*maxeatom,"pair:eatom_s");
-    memory->destroy(eatom_b);
-    memory->create(eatom_b,comm->nthreads*maxeatom,"pair:eatom_b");
-    memory->destroy(eatom_t);
-    memory->create(eatom_t,comm->nthreads*maxeatom,"pair:eatom_t");
-    nmax = atom->nmax;
-  }
-  //total number of atoms in the node and ghost shell treated as NTs
-  int nall = list->inum + list->gnum;
-  //total number of atoms in the node and ghost shell
-  int ntot = atom->nlocal + atom->nghost;
-  int newton_pair = force->newton_pair;
-  if (!newton_pair)
-   error->all(FLERR,"Pair style mesont/tpm requires newton pair on");
-
-  double **x = atom->x;
-  double **f = atom->f;
-  double *r = atom->radius;
-  double *l = atom->length;
-  int *buckling = atom->buckling;
-  tagint *g_id = atom->tag;
-
-  //check if cutoff is chosen correctly
-  double RT = mesont_lib_get_R();
-  double Lmax = 0.0;
-  for (int ii = 0; ii < list->inum; ii++) {
-    int i = list->ilist[ii];
-    if (Lmax < l[i]) Lmax = l[i];
-  }
-  double Rcut_min = std::max(2.0*Lmax, std::sqrt(0.5*Lmax*Lmax + std::pow((2.0*RT + TPBRcutoff),2)));
-  if (cut_global < Rcut_min) {
-    error->all(FLERR, "The selected cutoff is too small for the current system : "
-               "L_max = {:.8}, R_max = {:.8}, Rc = {:.8}, Rcut_min = {:.8}",
-               Lmax, RT, cut_global, Rcut_min);
-  }
-
-  //generate bonds and chain nblist
-  MESONTList ntlist(atom, list);
-
-  //reorder data to make it contiguous within tubes
-  //and compatible with Fortran functions
-  std::vector<double> x_sort(3*nall), f_sort(3*nall), s_sort(9*nall);
-  std::vector<double> u_ts_sort(nall), u_tb_sort(nall), u_tt_sort(nall);
-  std::vector<int> b_sort(nall);
-  for (int i = 0; i < nall; i++) {
-    int idx = ntlist.get_idx(i);
-    for (int j = 0; j < 3; j++) x_sort[3*i+j] = x[idx][j];
-    b_sort[i] = buckling[idx];
-  }
-
-  //bending potential
-  int n_triplets = ntlist.get_triplets().size();
-  for (int i = 0; i < n_triplets; i++) {
-    const std::array<int,3>& t = ntlist.get_triplets()[i];
-    //idx of nodes of a triplet in sorted representation
-    int idx_s0 = ntlist.get_idxb(t[0]);
-    int idx_s1 = ntlist.get_idxb(t[1]);
-    int idx_s2 = ntlist.get_idxb(t[2]);
-
-    double* X1 = &(x_sort[3*idx_s0]);
-    double* X2 = &(x_sort[3*idx_s1]);
-    double* X3 = &(x_sort[3*idx_s2]);
-    double& U1b = u_tb_sort[idx_s0];
-    double& U2b = u_tb_sort[idx_s1];
-    double& U3b = u_tb_sort[idx_s2];
-    double* F1 = &(f_sort[3*idx_s0]);
-    double* F2 = &(f_sort[3*idx_s1]);
-    double* F3 = &(f_sort[3*idx_s2]);
-    double* S1 = &(s_sort[9*idx_s0]);
-    double* S2 = &(s_sort[9*idx_s1]);
-    double* S3 = &(s_sort[9*idx_s2]);
-    double& R123 = r[t[1]];
-    double& L123 = l[t[1]];
-    int& BBF2 = b_sort[idx_s1];
-
-    mesont_lib_TubeBendingForceField(U1b, U2b, U3b, F1, F2, F3, S1, S2, S3,
-     X1, X2, X3, R123, L123, BBF2);
-  }
-
-  //share new values of buckling
-  if (BendingMode == 1) {
-    for (int i = 0; i < nall; i++) {
-      int idx = ntlist.get_idx(i);
-      buckling[idx] = b_sort[i];
-    }
-    comm->forward_comm(this);
-    for (int i = 0; i < nall; i++) {
-      int idx = ntlist.get_idx(i);
-      b_sort[i] = buckling[idx];
-    }
-  }
-
-  //segment-segment and segment-tube interactions
-  int n_segments = ntlist.get_segments().size();
-  double Rmax = 0.0;
-  Lmax = 0.0;
-  for (int i = 0; i < n_segments; i++) {
-    const std::array<int,2>& s = ntlist.get_segments()[i];
-    //idx of a segment end 1 in sorted representation
-    int idx_s0 = ntlist.get_idxb(s[0]);
-    //idx of a segment end 2 in sorted representation
-    int idx_s1 = ntlist.get_idxb(s[1]);
-    double* X1 = &(x_sort[3*idx_s0]);
-    double* X2 = &(x_sort[3*idx_s1]);
-    double length = std::sqrt(std::pow(X1[0]-X2[0],2) +
-     std::pow(X1[1]-X2[1],2) + std::pow(X1[2]-X2[2],2));
-    if (length > Lmax) Lmax = length;
-    double& U1t = u_tt_sort[idx_s0];
-    double& U2t = u_tt_sort[idx_s1];
-    double& U1s = u_ts_sort[idx_s0];
-    double& U2s = u_ts_sort[idx_s1];
-    double* F1 = &(f_sort[3*idx_s0]);
-    double* F2 = &(f_sort[3*idx_s1]);
-    double* S1 = &(s_sort[9*idx_s0]);
-    double* S2 = &(s_sort[9*idx_s1]);
-    double R12 = r[s[0]]; if (R12 > Rmax) Rmax = R12;
-    if (std::abs(R12 - RT) > 1e-3)
-        error->all(FLERR,"Inconsistent input and potential table");
-    //assume that the length of the segment is defined by the node with
-    //smallest global id
-    double L12 = (g_id[s[0]] > g_id[s[1]]) ? l[s[1]] : l[s[0]];
-    mesont_lib_TubeStretchingForceField(U1s, U2s, F1, F2, S1, S2, X1, X2,
-     R12, L12);
-
-    for (int nc = 0; nc < (int)ntlist.get_nbs()[i].size(); nc++) {
-      //id of the beginning and end of the chain in the sorted representation
-      const std::array<int,2>& chain = ntlist.get_nbs()[i][nc];
-      int N = chain[1] - chain[0] + 1;  //number of elements in the chain
-      int end1 = ntlist.get_idx(chain[0]);  //chain ends (real representation)
-      int end2 = ntlist.get_idx(chain[1]);
-      double* X = &(x_sort[3*chain[0]]);
-      double* Ut = &(u_tt_sort[chain[0]]);
-      double* F = &(f_sort[3*chain[0]]);
-      double* S = &(s_sort[9*chain[0]]);
-      double R = r[end1];
-      int* BBF = &(b_sort[chain[0]]);
-      int E1 = ntlist.is_end(end1);
-      int E2 = ntlist.is_end(end2);
-
-      int Ee = 0;
-      double* Xe = X; double* Fe = F; double* Se = S;
-      if (!E1 && ntlist.get_triplet(end1)[0] != MESONTList::domain_end &&
-       ntlist.get_triplet(ntlist.get_triplet(end1)[0])[0] ==
-       MESONTList::cnt_end) {
-        Ee = 1;
-        int idx = ntlist.get_idxb(ntlist.get_triplet(end1)[0]);
-        Xe = &(x_sort[3*idx]);
-        Fe = &(f_sort[3*idx]);
-        Se = &(s_sort[9*idx]);
-      }
-      else if (!E2 && ntlist.get_triplet(end2)[2] != MESONTList::domain_end &&
-       ntlist.get_triplet(ntlist.get_triplet(end2)[2])[2] ==
-       MESONTList::cnt_end) {
-        Ee = 2;
-        int idx = ntlist.get_idxb(ntlist.get_triplet(end2)[2]);
-        Xe = &(x_sort[3*idx]);
-        Fe = &(f_sort[3*idx]);
-        Se = &(s_sort[9*idx]);
-      }
-
-      mesont_lib_SegmentTubeForceField(U1t, U2t, Ut, F1, F2, F, Fe, S1, S2, S,
-       Se, X1, X2, R12, N, X, Xe, BBF, R, E1, E2, Ee, TPMType);
-    }
-  }
-
-  //check if cutoff is chosen correctly
-  Rcut_min = std::max(2.0*Lmax, std::sqrt(0.5*Lmax*Lmax + std::pow((2.0*Rmax + TPBRcutoff),2)));
-  if (cut_global < Rcut_min) {
-    error->all(FLERR, "The selected cutoff is too small for the current system : "
-               "L_max = {:.8}, R_max = {:.8}, Rc = {:.8}, Rcut_min = {:.8}",
-               Lmax, RT, cut_global, Rcut_min);
-  }
-
-  //convert from sorted representation
-  for (int i = 0; i < nall; i++) {
-      int idx = ntlist.get_idx(i);
-      for (int j = 0; j < 3; j++) f[idx][j] += f_sort[3*i+j];
-      buckling[idx] = b_sort[i];
-  }
-  if (eflag_global) {
-    energy_s = energy_b = energy_t = 0.0;
-    for (int i = 0; i < nall; i++) {
-      energy_s += u_ts_sort[i];
-      energy_b += u_tb_sort[i];
-      energy_t += u_tt_sort[i];
-    }
-    eng_vdwl += energy_s + energy_b + energy_t;
-  }
-  if (eflag_atom) {
-    for (int i = 0; i < ntot; i++)
-      eatom_s[i] = eatom_b[i] = eatom_t[i] = 0.0;
-
-    for (int i = 0; i < nall; i++) {
-      int idx = ntlist.get_idx(i);
-      eatom_s[idx] += u_ts_sort[i];
-      eatom_b[idx] += u_tb_sort[i];
-      eatom_t[idx] += u_tt_sort[i];
-      eatom[idx] += u_ts_sort[i] + u_tb_sort[i] + u_tt_sort[i];
-    }
-  }
-  if (vflag_global) {
-    for (int i = 0; i < nall; i++) {
-      virial[0] += s_sort[9*i+0]; //xx
-      virial[1] += s_sort[9*i+4]; //yy
-      virial[2] += s_sort[9*i+8]; //zz
-      virial[3] += s_sort[9*i+1]; //xy
-      virial[4] += s_sort[9*i+2]; //xz
-      virial[5] += s_sort[9*i+5]; //yz
-    }
-  }
-  if (vflag_atom) {
-    for (int i = 0; i < nall; i++) {
-      int idx = ntlist.get_idx(i);
-      vatom[idx][0] += s_sort[9*i+0]; //xx
-      vatom[idx][1] += s_sort[9*i+4]; //yy
-      vatom[idx][2] += s_sort[9*i+8]; //zz
-      vatom[idx][3] += s_sort[9*i+1]; //xy
-      vatom[idx][4] += s_sort[9*i+2]; //xz
-      vatom[idx][5] += s_sort[9*i+5]; //yz
-    }
-  }
-
-}
-
-/* ----------------------------------------------------------------------
-   allocate all arrays
-------------------------------------------------------------------------- */
-
-void PairMESONTTPM::allocate() {
-  allocated = 1;
-  int n = atom->ntypes;
-
-  memory->create(setflag,n+1,n+1,"pair:setflag");
-  for (int i = 1; i <= n; i++)
-    for (int j = i; j <= n; j++)
-      setflag[i][j] = 0;
-
-  memory->create(cutsq,n+1,n+1,"pair:cutsq");
-  memory->create(cut,n+1,n+1,"pair:cut");
-}
-
-/* ----------------------------------------------------------------------
-   global settings
-------------------------------------------------------------------------- */
-
-void PairMESONTTPM::settings(int narg, char **arg) {
-  if ((narg == 0) || (narg > 4))
-    error->all(FLERR,"Illegal pair_style command");
-  cut_global = utils::numeric(FLERR,arg[0],false,lmp);
-
-  // reset cutoffs that have been explicitly set
-  if (allocated) {
-    int i,j;
-    for (i = 1; i <= atom->ntypes; i++)
-      for (j = i+1; j <= atom->ntypes; j++)
-        cut[i][j] = cut_global;
-  }
-  std::string TPMAFile = (narg > 1) ? arg[1] : "MESONT-TABTP.xrs";
-  tab_path_length = TPMAFile.length();
-  if (tab_path != nullptr) memory->destroy(tab_path);
-  //c_str returns '\0' terminated string
-  memory->create(tab_path,tab_path_length+1,"pair:path");
-  std::memcpy(tab_path, TPMAFile.c_str(), tab_path_length+1);
-  mesont_lib_SetTablePath(tab_path, tab_path_length);
-
-  if (narg > 2) {
-    BendingMode = utils::numeric(FLERR,arg[2],false,lmp);
-    if ((BendingMode < 0) || (BendingMode > 1))
-      error->all(FLERR,"Incorrect BendingMode");
-  }
-  if (narg > 3) {
-    TPMType = utils::numeric(FLERR,arg[3],false,lmp);
-    if ((TPMType < 0) || (TPMType > 1))
-      error->all(FLERR,"Incorrect TPMType");
-  }
-
-  mesont_lib_TPBInit();
-  int M, N;
-  std::ifstream in(TPMAFile);
-  if (!in.is_open()) error->all(FLERR,"Incorrect table path");
-  std::string tmp;
-  std::getline(in,tmp);
-  std::getline(in,tmp);
-  std::getline(in,tmp);
-  in >> M >> N;
-  in.close();
-  mesont_lib_TPMInit(M, N);
-  mesont_lib_InitCNTPotModule(1, 3, 0, BendingMode, mesont_lib_get_R());
-}
-
-/* ----------------------------------------------------------------------
-   set coeffs for one or more type pairs
-------------------------------------------------------------------------- */
-
-void PairMESONTTPM::coeff(int narg, char **arg) {
-  if ((narg < 2) || (narg > 3))
-    error->all(FLERR,"Incorrect args for pair coefficients");
-
-  if (!allocated) allocate();
-
-  int ilo,ihi,jlo,jhi;
-  utils::bounds(FLERR,arg[0],1,atom->ntypes,ilo,ihi,error);
-  utils::bounds(FLERR,arg[1],1,atom->ntypes,jlo,jhi,error);
-
-  double cut_one = cut_global;
-  if (narg == 3) cut_one = utils::numeric(FLERR,arg[2],false,lmp);
-
-  int count = 0;
-  for (int i = ilo; i <= ihi; i++) {
-    for (int j = MAX(jlo,i); j <= jhi; j++) {
-      cut[i][j] = cut_one;
-      setflag[i][j] = 1;
-      count++;
-    }
-  }
-
-  if (count == 0) error->all(FLERR,"Incorrect args for pair coefficients");
-}
-
-/* ----------------------------------------------------------------------
-   init for one type pair i,j and corresponding j,i
-------------------------------------------------------------------------- */
-
-double PairMESONTTPM::init_one(int i, int j) {
-  if (setflag[i][j] == 0) {
-    cut[i][j] = mix_distance(cut[i][i],cut[j][j]);
-  }
-
-  return cut[i][j];
-}
-
-/* ----------------------------------------------------------------------
-   proc 0 writes to restart file
-------------------------------------------------------------------------- */
-
-void PairMESONTTPM::write_restart(FILE *fp) {
-  write_restart_settings(fp);
-
-  int i,j;
-  for (i = 1; i <= atom->ntypes; i++)
-    for (j = i; j <= atom->ntypes; j++) {
-      fwrite(&setflag[i][j],sizeof(int),1,fp);
-      if (setflag[i][j]) {
-        fwrite(&cut[i][j],sizeof(double),1,fp);
-      }
-    }
-}
-
-/* ----------------------------------------------------------------------
-   proc 0 reads from restart file, bcasts
-------------------------------------------------------------------------- */
-
-void PairMESONTTPM::read_restart(FILE *fp) {
-  read_restart_settings(fp);
-  allocate();
-
-  int i,j;
-  int me = comm->me;
-  for (i = 1; i <= atom->ntypes; i++)
-    for (j = i; j <= atom->ntypes; j++) {
-      if (me == 0) fread(&setflag[i][j],sizeof(int),1,fp);
-      MPI_Bcast(&setflag[i][j],1,MPI_INT,0,world);
-      if (setflag[i][j]) {
-        if (me == 0) {
-          fread(&cut[i][j],sizeof(double),1,fp);
-        }
-        MPI_Bcast(&cut[i][j],1,MPI_DOUBLE,0,world);
-      }
-    }
-}
-
-/* ----------------------------------------------------------------------
-   proc 0 writes to restart file
-------------------------------------------------------------------------- */
-
-void PairMESONTTPM::write_restart_settings(FILE *fp) {
-  fwrite(&BendingMode,sizeof(int),1,fp);
-  fwrite(&TPMType,sizeof(int),1,fp);
-  fwrite(&cut_global,sizeof(double),1,fp);
-  fwrite(&tab_path_length,sizeof(int),1,fp);
-  fwrite(tab_path,tab_path_length+1,1,fp);
-}
-
-/* ----------------------------------------------------------------------
-   proc 0 reads from restart file, bcasts
-------------------------------------------------------------------------- */
-
-void PairMESONTTPM::read_restart_settings(FILE *fp) {
-  int me = comm->me;
-  if (me == 0) {
-    fread(&BendingMode,sizeof(int),1,fp);
-    fread(&TPMType,sizeof(int),1,fp);
-    fread(&cut_global,sizeof(double),1,fp);
-    fread(&tab_path_length,sizeof(int),1,fp);
-  }
-  MPI_Bcast(&BendingMode,1,MPI_INT,0,world);
-  MPI_Bcast(&TPMType,1,MPI_INT,0,world);
-  MPI_Bcast(&cut_global,1,MPI_DOUBLE,0,world);
-  MPI_Bcast(&tab_path_length,1,MPI_INT,0,world);
-
-  if (tab_path != nullptr) memory->destroy(tab_path);
-  memory->create(tab_path,tab_path_length+1,"pair:path");
-  if (me == 0) fread(tab_path,tab_path_length+1,1,fp);
-  MPI_Bcast(tab_path,tab_path_length+1,MPI_CHAR,0,world);
-  mesont_lib_SetTablePath(tab_path,tab_path_length);
-  mesont_lib_TPBInit();
-  int M, N;
-  std::ifstream in(tab_path);
-  if (!in.is_open()) error->all(FLERR,"Incorrect table path");
-  std::string tmp;
-  std::getline(in,tmp);
-  std::getline(in,tmp);
-  std::getline(in,tmp);
-  in >> M >> N;
-  in.close();
-  mesont_lib_TPMInit(M, N);
-  mesont_lib_InitCNTPotModule(1, 3, 0, BendingMode, mesont_lib_get_R());
-}
-
-/* ----------------------------------------------------------------------
-   proc 0 writes to data file
-------------------------------------------------------------------------- */
-
-void PairMESONTTPM::write_data(FILE *fp) {
-  for (int i = 1; i <= atom->ntypes; i++)
-    fprintf(fp,"%d\n",i);
-}
-
-/* ----------------------------------------------------------------------
-   proc 0 writes all pairs to data file
-------------------------------------------------------------------------- */
-
-void PairMESONTTPM::write_data_all(FILE *fp) {
-  for (int i = 1; i <= atom->ntypes; i++)
-    for (int j = i; j <= atom->ntypes; j++)
-      fprintf(fp,"%d %d %g\n",i,j,cut[i][j]);
-}
-
-/* ---------------------------------------------------------------------- */
-
-void PairMESONTTPM::init_style() {
-  //make sure that a full list is created (including ghost nodes)
-  neighbor->add_request(this, NeighConst::REQ_FULL | NeighConst::REQ_GHOST);
-}
-
-void* PairMESONTTPM::extract(const char *str, int &) {
-  if (strcmp(str,"mesonttpm_Es_tot") == 0) return &energy_s;
-  else if (strcmp(str,"mesonttpm_Eb_tot") == 0) return &energy_b;
-  else if (strcmp(str,"mesonttpm_Et_tot") == 0) return &energy_t;
-  else if (strcmp(str,"mesonttpm_Es") == 0) return eatom_s;
-  else if (strcmp(str,"mesonttpm_Eb") == 0) return eatom_b;
-  else if (strcmp(str,"mesonttpm_Et") == 0) return eatom_t;
-  else return nullptr;
-};
diff --git a/src/MESONT/pair_mesont_tpm.h b/src/MESONT/pair_mesont_tpm.h
deleted file mode 100644
index a83e124b56..0000000000
--- a/src/MESONT/pair_mesont_tpm.h
+++ /dev/null
@@ -1,66 +0,0 @@
-/* -*- c++ -*- ----------------------------------------------------------
-   LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
-   https://www.lammps.org/, Sandia National Laboratories
-   LAMMPS development team: developers@lammps.org
-
-   Copyright (2003) Sandia Corporation.  Under the terms of Contract
-   DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains
-   certain rights in this software.  This software is distributed under
-   the GNU General Public License.
-
-   See the README file in the top-level LAMMPS directory.
-
-   Contributing author: Maxim Shugaev (UVA), mvs9t@virginia.edu
-------------------------------------------------------------------------- */
-
-#ifdef PAIR_CLASS
-// clang-format off
-PairStyle(mesont/tpm,PairMESONTTPM);
-// clang-format on
-#else
-
-#ifndef LMP_PAIR_MESONT_TPM_H
-#define LMP_PAIR_MESONT_TPM_H
-
-#include "pair.h"
-
-namespace LAMMPS_NS {
-
-class PairMESONTTPM : public Pair {
- public:
-  PairMESONTTPM(class LAMMPS *);
-  ~PairMESONTTPM() override;
-  void compute(int, int) override;
-  void settings(int, char **) override;
-  void coeff(int, char **) override;
-  double init_one(int, int) override;
-  void write_restart(FILE *) override;
-  void read_restart(FILE *) override;
-  void write_restart_settings(FILE *) override;
-  void read_restart_settings(FILE *) override;
-  void write_data(FILE *) override;
-  void write_data_all(FILE *) override;
-  void init_style() override;
-
-  double energy_s;                        // accumulated energies for stretching
-  double energy_b;                        // accumulated energies for bending
-  double energy_t;                        // accumulated energies for tube-tube interaction
-  double *eatom_s, *eatom_b, *eatom_t;    // accumulated per-atom values
-
- protected:
-  int BendingMode, TPMType;
-  char *tab_path;
-  int tab_path_length;
-  double cut_global;
-  double **cut;
-  static int instance_count;
-  int nmax;
-
-  virtual void allocate();
-  void *extract(const char *, int &) override;
-};
-
-}    // namespace LAMMPS_NS
-
-#endif
-#endif
diff --git a/src/MESONT/potentials.txt b/src/MESONT/potentials.txt
index 8dc30da619..8798ba3ab9 100644
--- a/src/MESONT/potentials.txt
+++ b/src/MESONT/potentials.txt
@@ -1,4 +1,3 @@
 # list of potential files to be fetched when this package is installed
 # potential file  md5sum
 C_10_10.mesocnt 68b5ca26283968fd9889aa0a37f7b7fb
-TABTP_10_10.mesont 744a739da49ad5e78492c1fc9fd9f8c1
diff --git a/src/Makefile b/src/Makefile
index 13eeac58e7..a7c9985708 100644
--- a/src/Makefile
+++ b/src/Makefile
@@ -228,7 +228,6 @@ PACKLIB = \
 	latboltz \
 	lepton \
 	mdi \
-	mesont \
 	molfile \
 	netcdf \
 	ml-pace \
@@ -243,7 +242,7 @@ PACKLIB = \
 
 PACKSYS = compress latboltz mpiio python
 
-PACKINT = atc awpmd colvars electrode gpu kokkos lepton mesont ml-pod poems
+PACKINT = atc awpmd colvars electrode gpu kokkos lepton ml-pod poems
 
 PACKEXT = \
 	adios \
diff --git a/src/Purge.list b/src/Purge.list
index 186454e0a2..a1fcc88b00 100644
--- a/src/Purge.list
+++ b/src/Purge.list
@@ -51,7 +51,15 @@ lmpinstalledpkgs.h
 lmpgitversion.h
 mliap_model_python_couple.cpp
 mliap_model_python_couple.h
-# removed on 11 January 2022
+# removed on 20 January 2023
+atom_vec_mesont.cpp
+atom_vec_mesont.h
+compute_mesont.cpp
+compute_mesont.h
+export_mesont.h
+pair_mesont_tpm.cpp
+pair_mesont_tpm.h
+# removed on 11 January 2023
 min_fire_old.cpp
 min_fire_old.h
 # renamed on 11 July 2022
diff --git a/src/compute_deprecated.cpp b/src/compute_deprecated.cpp
index 8a32130b43..1ef86d5646 100644
--- a/src/compute_deprecated.cpp
+++ b/src/compute_deprecated.cpp
@@ -28,6 +28,11 @@ ComputeDeprecated::ComputeDeprecated(LAMMPS *lmp, int narg, char **arg) : Comput
     if (lmp->comm->me == 0)
       utils::logmesg(lmp, "\nCompute style 'DEPRECATED' is a dummy style\n\n");
     return;
+  } else if (my_style == "mesont") {
+    if (lmp->comm->me == 0)
+      utils::logmesg(lmp,
+                     "\nCompute style 'mesont' and the associated pair style have been "
+                     "removed. Please use pair style 'mesocnt' instead.\n\n");
   }
   error->all(FLERR, "This compute style is no longer available");
 }
diff --git a/src/compute_deprecated.h b/src/compute_deprecated.h
index 0e19cca3f0..cc480c9a78 100644
--- a/src/compute_deprecated.h
+++ b/src/compute_deprecated.h
@@ -15,6 +15,7 @@
 // clang-format off
 // list all deprecated and removed compute styles here
 ComputeStyle(DEPRECATED,ComputeDeprecated);
+ComputeStyle(mesont,ComputeDeprecated);
 // clang-format on
 #else
 
@@ -30,8 +31,6 @@ class ComputeDeprecated : public Compute {
   ComputeDeprecated(class LAMMPS *, int, char **);
   void init() override {}
 };
-
 }    // namespace LAMMPS_NS
-
 #endif
 #endif
diff --git a/src/pair_deprecated.cpp b/src/pair_deprecated.cpp
index eeb36d2171..db05cd1e06 100644
--- a/src/pair_deprecated.cpp
+++ b/src/pair_deprecated.cpp
@@ -48,6 +48,11 @@ void PairDeprecated::settings(int, char **)
       utils::logmesg(lmp,
                      "\nPair style 'reax' has been removed from LAMMPS "
                      "after the 12 December 2018 version\n\n");
+  } else if (my_style == "mesont/tpm") {
+    if (lmp->comm->me == 0)
+      utils::logmesg(lmp,
+                     "\nPair style 'mesont/tpm' has been removed from LAMMPS. "
+                     "Please use pair style 'mesocnt' instead\n\n");
   }
   error->all(FLERR, "This pair style is no longer available");
 }
diff --git a/src/pair_deprecated.h b/src/pair_deprecated.h
index 3f6e72ab0f..c4753e7bbf 100644
--- a/src/pair_deprecated.h
+++ b/src/pair_deprecated.h
@@ -15,6 +15,7 @@
 // clang-format off
 PairStyle(DEPRECATED,PairDeprecated);
 PairStyle(reax,PairDeprecated);
+PairStyle(mesont/tpm,PairDeprecated);
 // clang-format on
 #else